UCSF

ZINC40096805

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 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) 3.63 6.53 -62.54 1 8 -1 108 517.352 7
Hi High (pH 8-9.5) 3.63 7.45 -119.75 0 8 -2 111 516.344 7
Lo Low (pH 4.5-6) 3.63 5.78 -19.62 2 8 0 106 518.36 7

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