UCSF

ZINC34538223

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 20 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) 2.61 3.49 -26.35 5 4 1 85 332.177 0
Hi High (pH 8-9.5) 2.61 5.07 -8.38 4 4 0 88 331.169 0

Activity (Go SEA)

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