UCSF

ZINC34618769

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 16 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) 3.63 7.16 -40.02 2 2 1 20 260.188 1
Hi High (pH 8-9.5) 3.63 5.9 -1.87 1 2 0 15 259.18 1

Activity (Go SEA)

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