UCSF

ZINC53684103

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 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) 2.03 6.08 -47.27 0 6 -1 96 369.821 0
Lo Low (pH 4.5-6) 1.29 7.35 -20.42 0 6 0 90 370.829 0

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.52e-01 g/l DrugBank-experimental

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.