UCSF

ZINC42473005

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 Yes

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) 0.78 3.14 -47.21 3 4 1 49 251.398 4
Lo Low (pH 4.5-6) 0.78 5.21 -128.51 4 4 2 50 252.406 4

Activity (Go SEA)

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