UCSF

ZINC41587314

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

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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) 3.27 6.48 -11.52 0 8 0 81 464.518 6
Mid Mid (pH 6-8) 3.27 8.74 -51.16 1 8 1 83 465.526 6
Lo Low (pH 4.5-6) 3.27 9.33 -55.52 1 8 1 83 465.526 6

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

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