UCSF

ZINC19518649

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 12 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) 0.87 1.92 -46.84 4 3 1 57 171.264 2
Hi High (pH 8-9.5) 0.87 1.53 -8.98 3 3 0 55 170.256 2

Activity (Go SEA)

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