UCSF

ZINC01530298

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) -3.57 -0.69 -75.76 8 7 1 138 191.211 7

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.49e+00 g/l DrugBank-experimental
UniProt Database Links DCSB_STRLA; EFE_PSECA; EFE_PSESG; EFE_PSESH; EFE_PSESJ; EFE_PSEYS; EFE_RALSO; NOA1_ARATH; NOS1_HUMAN; NOS1_MOUSE; NOS1_RABIT; NOS1_RAT; NOS1_SHEEP; NOS2_BOVIN; NOS2_CANFA; NOS2_CAPHI; NOS2_CARAU; NOS2_CAVPO; NOS2_CHICK; NOS2_HUMAN; NOS2_MACMU; NOS2_MOUSE ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NOS2-7-E Nitric Oxide Synthase, Inducible (cluster #7 Of 9), Eukaryotic Eukaryotes 5100 0.57 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NOS2_HUMAN P35228 Nitric Oxide Synthase, Inducible, Human 5100 0.57 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Nitric oxide stimulates guanylate cyclase
Phagosomal maturation (early endosomal stage)

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