UCSF

ZINC06068283

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2006 25 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) -2.85 5.57 -53.92 2 5 1 67 342.415 2

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.08e-02 g/l DrugBank-experimental

Activity (Go SEA)

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