UCSF

ZINC72187796

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2012 13 Yes

CAS Number: 1188-38-1

Other Names:

CARBAGLU

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) -2.28 3.56 -77.65 3 6 -1 118 187.175 6
Lo Low (pH 4.5-6) -2.28 1.58 -43.63 4 6 0 115 188.183 6

Vendor Notes

Note Type Comments Provided By
Therapy carbamylphosphate synthetase activator SMDC Pharmakon

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

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