UCSF

ZINC22768294

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 21 No

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) 2.19 3.63 -21.51 3 5 0 85 284.315 5
Hi High (pH 8-9.5) 2.19 3.96 -67.8 2 5 -1 88 283.307 5
Lo Low (pH 4.5-6) 2.19 4.03 -45.31 4 5 1 87 285.323 5

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

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