UCSF

ZINC05392654

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 14 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) 2.37 -2.55 -8.73 1 3 0 46 213.302 3
Hi High (pH 8-9.5) 2.37 -2.09 -38.62 0 3 -1 48 212.294 3

Activity (Go SEA)

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