UCSF

ZINC62953193

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 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) 1.97 3.73 -41.82 3 4 1 49 297.463 3
Hi High (pH 8-9.5) 1.97 3.11 -2.83 2 4 0 48 296.455 3
Hi High (pH 8-9.5) 1.97 5.68 -123.75 4 4 2 51 298.471 3
Mid Mid (pH 6-8) 1.97 5.3 -29.45 3 4 1 49 297.463 3

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

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