UCSF

ZINC40187899

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 25 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) 3.03 8.84 -12.37 1 5 0 56 337.423 7
Mid Mid (pH 6-8) 3.03 9.4 -34.78 2 5 1 57 338.431 7

Activity (Go SEA)

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