UCSF

ZINC05828745

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 11 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) -1.30 -9.15 -46 6 4 1 88 164.225 6

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.91e+02 g/l DrugBank-experimental

Activity (Go SEA)

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