UCSF

ZINC39188351

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2010 24 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) 2.23 7.56 -54.84 1 5 -1 86 346.428 7

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.51e-03 g/l DrugBank-experimental

Activity (Go SEA)

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