UCSF

ZINC34676262

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 18 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) -0.11 5.03 -35.21 3 3 1 34 248.394 4
Hi High (pH 8-9.5) -0.11 3.39 -45.65 3 3 1 34 248.394 4
Lo Low (pH 4.5-6) -0.11 7.45 -104.96 4 3 2 35 249.402 4

Activity (Go SEA)

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