UCSF

ZINC44626060

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 2.31 3.46 -46.34 2 6 1 74 278.332 6
Hi High (pH 8-9.5) 2.31 1.96 -8.68 1 6 0 69 277.324 6

Activity (Go SEA)

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