UCSF

ZINC22054330

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 24 Yes

CAS Number: 64169-57-9

Other Names:

MFCD07369228

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) 3.69 11.83 -44.24 1 3 1 37 341.862 5

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