UCSF

ZINC34574647

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 2.80 6.89 -46.56 3 2 1 32 249.284 1
Hi High (pH 8-9.5) 2.80 5.6 -5.37 2 2 0 28 248.276 1

Activity (Go SEA)

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