UCSF

ZINC02586075

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 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) -0.89 3.5 -37.64 3 4 0 81 222.269 3
Mid Mid (pH 6-8) -0.89 3.15 -46.03 2 4 -1 79 221.261 3

Activity (Go SEA)

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