UCSF

ZINC34526261

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) 4.26 10.06 -47.06 1 3 1 22 292.834 5
Hi High (pH 8-9.5) 4.26 8.08 -5.96 0 3 0 21 291.826 5

Activity (Go SEA)

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