UCSF

ZINC06752649

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 23 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) 5.06 11.81 -10.49 0 3 0 27 328.843 7
Mid Mid (pH 6-8) 5.06 12.11 -30.05 1 3 1 28 329.851 7

Activity (Go SEA)

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