UCSF

ZINC40054547

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 33 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.00 4.41 -64.89 2 8 -1 119 517.352 10
Hi High (pH 8-9.5) 3.00 5.34 -121.03 1 8 -2 122 516.344 10
Lo Low (pH 4.5-6) 3.00 3.66 -20.83 3 8 0 117 518.36 10

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