UCSF

ZINC53433592

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 18 No

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) 0.00 -0.61 -10.96 1 5 0 59 276.402 8
Mid Mid (pH 6-8) 0.00 1.38 -44.76 2 5 1 60 277.41 8
Mid Mid (pH 6-8) 0.00 0.55 -57.06 2 5 1 63 277.41 8
Lo Low (pH 4.5-6) 0.00 2.55 -137.9 3 5 2 64 278.418 8

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

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