UCSF

ZINC34526721

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 35 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) 5.29 8.54 -15.59 4 9 0 133 490.541 9
Hi High (pH 8-9.5) 5.29 8.48 -46.84 3 9 -1 135 489.533 9

Activity (Go SEA)

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