UCSF

ZINC16958484

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 27 No

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) 2.11 3.84 -34.57 1 11 -1 178 369.269 5
Ref Reference (pH 7) 2.11 4.79 -46.08 1 11 -1 178 369.269 5
Hi High (pH 8-9.5) 2.11 5.42 -111.94 0 11 -2 181 368.261 5
Hi High (pH 8-9.5) 2.11 5.4 -112.44 0 11 -2 181 368.261 5

Activity (Go SEA)

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