UCSF

ZINC00600399

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.51 1.8 -12.67 1 5 0 54 473.935 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OXYR-1-E Oxytocin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 519 0.26 Binding ≤ 10μM
V1AR-1-E Vasopressin V1a Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 6000 0.22 Binding ≤ 10μM
V2R-1-E Vasopressin V2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.36 Binding ≤ 10μM
V2R-1-E Vasopressin V2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 91 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OXYR_HUMAN P30559 Oxytocin Receptor, Human 519 0.26 Binding ≤ 1μM
V1AR_HUMAN P37288 Vasopressin V1a Receptor, Human 124 0.28 Binding ≤ 1μM
V1AR_RAT P30560 Vasopressin V1a Receptor, Rat 340 0.27 Binding ≤ 1μM
V2R_RAT Q00788 Vasopressin V2 Receptor, Rat 0.5 0.38 Binding ≤ 1μM
V2R_HUMAN P30518 Vasopressin V2 Receptor, Human 1 0.37 Binding ≤ 1μM
OXYR_HUMAN P30559 Oxytocin Receptor, Human 519 0.26 Binding ≤ 10μM
V1AR_RAT P30560 Vasopressin V1a Receptor, Rat 340 0.27 Binding ≤ 10μM
V1AR_HUMAN P37288 Vasopressin V1a Receptor, Human 124 0.28 Binding ≤ 10μM
V2R_HUMAN P30518 Vasopressin V2 Receptor, Human 1 0.37 Binding ≤ 10μM
V2R_RAT Q00788 Vasopressin V2 Receptor, Rat 0.5 0.38 Binding ≤ 10μM
V2R_HUMAN P30518 Vasopressin V2 Receptor, Human 5 0.34 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
G alpha (s) signalling events
Vasopressin regulates renal water homeostasis via Aquaporins
Vasopressin-like receptors

Analogs ( Draw Identity 99% 90% 80% 70% )