UCSF

ZINC83333898

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2013 35 No

Other Names:

MFCD02181871

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) 5.72 14.6 -12.91 1 6 0 67 505.043 6
Lo Low (pH 4.5-6) 2.06 14.86 -37.8 2 6 1 66 506.051 7

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

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