UCSF

ZINC66348209

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2011 31 No

CAS Number: [1059-14-9]

Other Names:

MFCD04039802

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) 8.10 11.91 -1.37 1 1 0 20 426.729 0

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

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