UCSF

ZINC03870908

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 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) 2.08 7.87 -13.31 1 5 0 53 335.407 3
Ref Reference (pH 7) 2.27 5.31 -13.67 1 5 0 56 335.407 3
Hi High (pH 8-9.5) 3.33 6.8 -50.75 1 5 -1 62 334.399 3

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.05e-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.