UCSF

ZINC06689853

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 24 Yes

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) 3.33 10.78 -12.93 0 4 0 38 349.837 7
Mid Mid (pH 6-8) 3.33 11.23 -27.69 1 4 1 39 350.845 7

Activity (Go SEA)

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