UCSF

ZINC34948524

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 Yes

Popular Name: [5-amino-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-triazol-1-yl]-(3,4-dimethoxyphenyl)methanone [5-amino-3-[4-(2-pyrrolidin-1-yl…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 3.18 13.31 -42.28 4 10 1 118 453.523 9 ↓
Hi High (pH 8-9.5) 3.18 10.88 -10.65 3 10 0 117 452.515 9 ↓

Activity (Go SEA)

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