UCSF

ZINC49573463

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 21 No

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) 1.49 3.89 -7.38 1 6 0 86 293.367 8
Mid Mid (pH 6-8) 1.81 7.11 -45.83 2 6 1 84 294.375 8
Mid Mid (pH 6-8) 1.81 5.28 -18.28 1 6 0 82 293.367 8
Lo Low (pH 4.5-6) 1.49 5.9 -38.61 2 6 1 87 294.375 8

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

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