UCSF

ZINC19256199

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 17 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) 2.18 2.95 -46.17 3 3 1 50 237.229 3
Mid Mid (pH 6-8) 2.18 2.56 -6.68 2 3 0 48 236.221 3

Activity (Go SEA)

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