UCSF

ZINC06314678

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 26 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) 1.00 -1.67 -15.85 1 7 0 92 376.434 7
Mid Mid (pH 6-8) 0.41 -1.85 -20.68 0 7 0 89 376.434 7

Activity (Go SEA)

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