UCSF

ZINC89224231

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2013 11 Yes

Popular Name: Conivaptan hydrochloride Conivaptan hydrochloride

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CAS Numbers: 168626-94-6 , 210101-16-9 , [168626-94-6]

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) 5.69 14.98 -44.87 3 6 1 79 499.594 4 ↓
Hi High (pH 8-9.5) 3.46 4.8 -3.83 0 1 0 9 164.195 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Indications hyponatremia KeyOrganics Bioactives
Target Others Selleck Chemicals
Indications potential treatment of hyponatremia, congestive heart failure, hypertension KeyOrganics Bioactives
Target Vasopressin Receptor Selleck Chemicals

Activity (Go SEA)

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

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