UCSF

ZINC33943619

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2009 29 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) 5.22 13.17 -242.96 0 7 -3 122 447.425 14
Mid Mid (pH 6-8) 5.22 12.01 -122.52 1 7 -2 119 448.433 14

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.63e-03 g/l DrugBank-experimental

Activity (Go SEA)

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

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