UCSF

ZINC40184199

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 36 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.95 12.9 -20.91 1 7 0 78 484.6 13
Mid Mid (pH 6-8) 3.95 13.19 -45.05 2 7 1 80 485.608 13

Activity (Go SEA)

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