UCSF

ZINC53683261

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 26 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) -2.77 -1.29 -51.35 7 11 0 187 384.418 7
Hi High (pH 8-9.5) -2.77 -1.61 -52.71 6 11 -1 185 383.41 7

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.08e+00 g/l DrugBank-experimental

Activity (Go SEA)

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

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