UCSF

ZINC33710289

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 21 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) 2.11 8.54 -16.86 1 5 0 72 302.403 2
Hi High (pH 8-9.5) 2.11 8.06 -46.67 0 5 -1 70 301.395 2

Activity (Go SEA)

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