UCSF

ZINC69231814

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 19 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) 0.21 2.05 -99.3 5 5 2 67 270.421 6
Hi High (pH 8-9.5) 0.21 1.04 -38.03 4 5 1 63 269.413 6
Hi High (pH 8-9.5) 0.21 -1.37 -6.33 3 5 0 62 268.405 6
Mid Mid (pH 6-8) 0.21 3.89 -43.31 4 5 1 63 269.413 6

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

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