UCSF

ZINC20485346

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 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) 2.39 8.3 -35.6 3 3 1 40 279.448 10
Mid Mid (pH 6-8) 2.39 8.7 -137.91 4 3 2 41 280.456 10

Activity (Go SEA)

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