UCSF

ZINC53445918

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 18 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) 2.92 6.47 -38.44 2 3 1 33 251.394 9
Hi High (pH 8-9.5) 2.92 5.28 -3.05 1 3 0 28 250.386 9
Mid Mid (pH 6-8) 2.92 8.9 -105.25 3 3 2 34 252.402 9

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

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