UCSF

ZINC06314749

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 28 No

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) 1.90 -1.69 -16.35 1 6 0 79 418.54 7
Mid Mid (pH 6-8) 1.32 -1.91 -23.84 0 6 0 76 418.54 7

Activity (Go SEA)

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