UCSF

ZINC06752917

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 26 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) 3.79 7.44 -12.36 2 5 0 69 351.381 4
Mid Mid (pH 6-8) 3.79 8.22 -51.2 1 5 -1 72 350.373 4

Activity (Go SEA)

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