UCSF

ZINC43978492

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 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) 2.68 8.58 -83.6 3 3 2 24 269.477 6
Hi High (pH 8-9.5) 2.68 7.86 -112.01 3 3 2 24 269.477 6
Hi High (pH 8-9.5) 2.68 7.73 -30.24 2 3 1 20 268.469 6

Activity (Go SEA)

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