UCSF

ZINC42137827

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 21 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) 0.97 1.49 -81.48 3 7 0 115 347.443 7
Hi High (pH 8-9.5) 0.97 1.09 -47.21 2 7 -1 113 346.435 7
Mid Mid (pH 6-8) 1.89 1.74 -65.59 4 7 1 116 348.451 6

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

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