UCSF

ZINC34526677

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 19 No

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) -0.96 -2.54 -20.71 3 7 0 105 288.687 4
Hi High (pH 8-9.5) -0.50 -5.18 -58.89 2 7 -1 108 287.679 4

Activity (Go SEA)

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