UCSF

ZINC12341707

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2008 17 Yes

Popular Name: 700 700

Find On: PubMed — Wikipedia — Google

CAS Numbers: 23312-56-3 , [23312-56-3]

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) 2.90 9.57 -93.79 2 2 2 9 236.403 0 ↓
Hi High (pH 8-9.5) 2.90 7.96 -29.1 1 2 1 8 235.395 0 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.219 Bitter DB

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