UCSF

ZINC34552482

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 17 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) 3.44 8.76 -50.02 0 3 -1 49 235.303 5
Lo Low (pH 4.5-6) 3.44 6.57 -7.05 1 3 0 47 236.311 5

Activity (Go SEA)

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