UCSF

ZINC09967797

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2007 22 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) 3.05 -0.72 -12.85 1 5 0 68 336.438 7
Lo Low (pH 4.5-6) 3.05 -0.58 -48.04 2 5 1 69 337.446 7

Activity (Go SEA)

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