UCSF

ZINC19927108

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 29 No

Popular Name: 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3-chlorophenyl)methyleneamino]-5-(pyrrolidin-1-ylmethyl)triazol 3-(4-amino-1,2,5-oxadiazol-3-yl)…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.24 6.51 -46.23 4 11 1 142 416.853 6 ↓
Hi High (pH 8-9.5) 2.24 3.98 -18.89 3 11 0 140 415.845 6 ↓

Activity (Go SEA)

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