UCSF

ZINC05650525

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2006 26 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) 3.01 1.11 -35.3 1 5 1 49 362.49 9

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.85e-02 g/l DrugBank-experimental

Activity (Go SEA)

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