UCSF

ZINC05514233

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 29 No

Popular Name: INN INN

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CAS Number: 13246-02-1

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) 2.26 -3.39 -13.92 3 9 0 128 405.451 11 ↓

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