UCSF

ZINC04215234

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 33 No

Popular Name: Cefditoren Cefditoren

Find On: PubMed — Wikipedia — Google

CAS Numbers: 104145-95-1 , [104145-95-1]

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) 0.62 -3.52 -64.18 3 11 -1 162 505.583 7 ↓
Lo Low (pH 4.5-6) 0.62 -3.26 -71.56 4 11 0 164 506.591 7 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.34e-02 g/l DrugBank-approved
ALOGPS_SOLUBILITY 4.41e-02 g/l DrugBank-approved

Activity (Go SEA)

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