UCSF

ZINC49168814

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2010 17 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) 1.44 6.6 -46.31 2 4 1 46 231.323 2
Hi High (pH 8-9.5) 1.44 6.03 -41.25 1 4 0 44 230.315 2

Activity (Go SEA)

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