UCSF

ZINC02896240

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 24 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) 6.20 -0.3 -7.45 1 2 0 28 375.269 3
Mid Mid (pH 6-8) 6.20 -0.1 -29.2 2 2 1 29 376.277 3

Activity (Go SEA)

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