UCSF

ZINC62912461

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2011 16 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) 1.29 5.01 -85.43 3 3 2 24 227.396 4
Mid Mid (pH 6-8) 1.29 4.54 -95.61 3 3 2 24 227.396 4
Mid Mid (pH 6-8) 1.29 2.89 -37.16 2 3 1 23 226.388 4
Lo Low (pH 4.5-6) 1.29 6.84 -183.09 4 3 3 25 228.404 4

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

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