UCSF

ZINC56897641

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2011 37 No

Popular Name: 73747-21-4; D05101; Naboctate hydrochloride (USAN) 73747-21-4; D05101; Naboctate hy…

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CAS Number: 73747-21-4

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) 9.00 21.03 -42.14 1 4 1 40 512.799 16 ↓

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Rings

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

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