UCSF

ZINC04911236

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 25 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) 4.54 -1.25 -10.18 1 4 0 47 338.451 8
Mid Mid (pH 6-8) 4.54 -1.02 -31.36 2 4 1 48 339.459 8

Activity (Go SEA)

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