UCSF

ZINC57959055

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 17 Yes

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) -0.47 7.09 -131.72 0 5 -2 89 256.641 5
Lo Low (pH 4.5-6) -0.47 5.34 -46.61 1 5 -1 87 257.649 5
Lo Low (pH 4.5-6) -0.47 5.09 -54.63 1 5 -1 87 257.649 5

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Rings

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