UCSF

ZINC40188202

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 31 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) 6.07 12.52 -8.76 1 5 0 56 439.987 7
Mid Mid (pH 6-8) 6.07 12.99 -35.33 2 5 1 57 440.995 7

Activity (Go SEA)

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