UCSF

ZINC05735208

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 11 No

Popular Name: 1,2-Propanediol dinitrate; 1,2-Propanediol, dinitrate; 1,2-Propylene glycol dinitrate; BRN 1709968; EINECS 229-180-0; HSDB 6823; Isopropylene nitrate; LS-120375; NSC 62614; PGDN; Propane-1,2-diyl dinitrate; Propylene dinitrate; Propylene glycol 1,2-dinitr 1,2-Propanediol dinitrate; 1,2-P…

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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) 1.94 5.74 -5.46 0 8 0 110 166.089 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ADA1D-3-E Alpha-1d Adrenergic Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 240 0.84 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ADA1D_RAT P23944 Alpha-1d Adrenergic Receptor, Rat 240 0.84 Functional ≤ 10μM

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