UCSF

ZINC42456096

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 1.15 1.62 -47.82 4 4 1 60 230.376 8
Hi High (pH 8-9.5) 1.15 3.22 -37.81 4 4 1 60 230.376 8

Activity (Go SEA)

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