UCSF

ZINC02576552

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 16 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) 2.98 6.99 -48.62 3 1 1 28 232.734 3

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.63e-02 g/l DrugBank-experimental
Purity 95% Fluorochem

Activity (Go SEA)

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