UCSF

ZINC40188819

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 24 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) 1.67 7.27 -16.89 1 6 0 67 328.416 5
Mid Mid (pH 6-8) 1.67 7.83 -35.83 2 6 1 68 329.424 5

Activity (Go SEA)

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