UCSF

ZINC06920379

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 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) 9.28 18.45 -43.12 0 2 -1 40 353.611 21
Lo Low (pH 4.5-6) 9.28 16.49 -4.78 1 2 0 37 354.619 21

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.57e-05 g/l DrugBank-experimental
Patent Database Links US2004122094 ChEBI

Activity (Go SEA)

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