UCSF

ZINC00000189

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 Yes

Popular Name: Cyclandelate Cyclandelate

Find On: PubMed — Wikipedia — Google

CAS Number: 456-59-7

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) 3.55 8.61 -5.61 1 3 0 47 276.376 4 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 9.97e-02 g/l DrugBank-approved
Target Others Selleck Chemicals
Therapy vasodilator SMDC Iconix

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Rings

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