UCSF

ZINC03870865

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 23 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) -0.77 -3.69 -143.38 1 12 -2 186 345.208 5

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.84e+00 g/l DrugBank-experimental

Activity (Go SEA)

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