UCSF

ZINC06465588

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2006 18 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) 2.79 7.47 -10.87 0 4 0 43 296.808 3
Mid Mid (pH 6-8) 2.79 7.91 -33.86 1 4 1 44 297.816 3

Activity (Go SEA)

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