UCSF

ZINC34227368

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 15 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) 0.44 2.95 -10.52 1 6 0 85 211.173 4
Hi High (pH 8-9.5) 0.89 1.02 -43.63 0 6 -1 89 210.165 4

Activity (Go SEA)

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