UCSF

ZINC39889502

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 4.22 12.69 -22.87 0 7 0 84 451.482 3
Lo Low (pH 4.5-6) 4.22 13.34 -35.61 1 7 1 85 452.49 3

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