UCSF

ZINC04517559

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2005 32 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) -2.50 -8.83 -132.97 6 13 -2 217 441.404 9

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.41e-01 g/l DrugBank-experimental

Activity (Go SEA)

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