UCSF

ZINC52883371

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 17 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) 2.83 4.98 -39.54 4 2 1 40 247.387 5
Hi High (pH 8-9.5) 2.83 4.42 -3.01 3 2 0 38 246.379 5
Lo Low (pH 4.5-6) 2.83 6.23 -131.34 5 2 2 44 248.395 5
Lo Low (pH 4.5-6) 2.83 5.86 -38.93 4 2 1 43 247.387 5

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

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