UCSF

ZINC54902537

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 20 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) 4.18 8.6 -39.07 2 3 1 33 294.488 3
Hi High (pH 8-9.5) 4.18 7.18 -6.04 1 3 0 28 293.48 3
Mid Mid (pH 6-8) 4.18 8.92 -87.33 3 3 2 34 295.496 3

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

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