UCSF

ZINC34824240

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 20 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) 3.12 9.84 -91.05 3 3 2 24 297.874 5
Mid Mid (pH 6-8) 3.12 7.63 -30.09 2 3 1 23 296.866 5

Activity (Go SEA)

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