UCSF

ZINC58341314

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 23 Yes

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) 2.13 6.84 -62.97 4 5 1 62 314.388 5
Mid Mid (pH 6-8) 2.13 7 -107.62 5 5 2 63 315.396 5
Lo Low (pH 4.5-6) 1.79 7.1 -195.8 5 5 3 62 316.404 5
Lo Low (pH 4.5-6) 1.79 7.1 -195.66 5 5 3 62 316.404 5

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

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