UCSF

ZINC42460996

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 13 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) 0.35 2.62 -44.47 3 4 1 71 184.263 5
Mid Mid (pH 6-8) 0.35 0.96 -9.71 2 4 0 70 183.255 5

Activity (Go SEA)

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