UCSF

ZINC96006019

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2014 58 No

Other Names:

Dirithromycin

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.12 5.45 -98.39 7 16 2 202 837.102 12
Hi High (pH 8-9.5) 3.12 3 -50.7 6 16 1 198 836.094 12
Hi High (pH 8-9.5) 3.12 0.6 -15.53 5 16 0 196 835.086 12

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.30e-01 g/l DrugBank-approved

Activity (Go SEA)

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

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