UCSF

ZINC49648429

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 15 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) 0.69 3.63 -46.56 3 3 1 48 225.699 2
Hi High (pH 8-9.5) 0.69 3.32 -6.32 2 3 0 46 224.691 2

Activity (Go SEA)

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