UCSF

ZINC52883649

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 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) 2.80 5.02 -43.34 3 3 1 40 263.405 3
Hi High (pH 8-9.5) 2.80 5.41 -3.22 2 3 0 38 262.397 3
Lo Low (pH 4.5-6) 2.80 6.43 -121.96 4 3 2 41 264.413 3

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

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