UCSF

ZINC53445897

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 2.24 5.95 -40.52 2 3 1 33 237.367 9
Hi High (pH 8-9.5) 2.24 7.01 -32.03 2 3 1 30 237.367 9
Mid Mid (pH 6-8) 2.24 8.37 -116.52 3 3 2 34 238.375 9

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

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