UCSF

ZINC48259226

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 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) 0.60 5.42 -57.75 3 4 1 61 270.356 5
Hi High (pH 8-9.5) 0.60 5.02 -11.08 2 4 0 59 269.348 5
Lo Low (pH 4.5-6) 0.60 5.88 -91.02 4 4 2 62 271.364 5

Activity (Go SEA)

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