UCSF

ZINC34838156

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 24 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) 3.48 9.84 -8.42 0 4 0 44 334.297 5
Lo Low (pH 4.5-6) 3.48 10.3 -39.91 1 4 1 45 335.305 5

Activity (Go SEA)

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