UCSF

ZINC40877635

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 19 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) 3.58 6.78 -8.68 1 3 0 36 258.365 5
Mid Mid (pH 6-8) 3.58 7.13 -23.43 2 3 1 38 259.373 5

Activity (Go SEA)

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