UCSF

ZINC43505242

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 26 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) -4.70 -14.53 -20.69 8 12 0 198 383.35 5

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.59e+02 g/l DrugBank-experimental

Activity (Go SEA)

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