UCSF

ZINC45647660

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 No

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) 1.91 7.79 -43.54 3 5 1 70 296.416 7
Mid Mid (pH 6-8) 1.91 7.38 -15.12 2 5 0 68 295.408 7

Activity (Go SEA)

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