UCSF

ZINC05706874

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 20 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) -2.91 1.58 -107.38 9 8 1 161 288.372 10
Hi High (pH 8-9.5) -2.91 1.29 -71.19 8 8 0 159 287.364 10

Activity (Go SEA)

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