UCSF

ZINC02004103

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 30 Yes

Popular Name: Temafloxacin Temafloxacin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 105784-61-0 , 108319-06-8

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) 0.37 11.86 -94.26 2 6 0 82 417.387 3 ↓
Hi High (pH 8-9.5) 0.37 10.62 -61.88 1 6 -1 77 416.379 3 ↓
Lo Low (pH 4.5-6) -2.38 9.85 -78.71 3 6 1 85 418.395 2 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.44e-02 g/l DrugBank-withdrawn
Purity 95% Fluorochem

Activity (Go SEA)

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