UCSF

ZINC52232233

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 16 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) 3.73 6.87 -47.35 2 1 1 17 232.269 3
Hi High (pH 8-9.5) 3.73 5.87 -3.3 1 1 0 12 231.261 3

Activity (Go SEA)

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