UCSF

ZINC54906249

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 2.46 5.92 -42.55 2 4 1 46 295.457 4
Hi High (pH 8-9.5) 2.46 4.52 -10.13 1 4 0 41 294.449 4
Mid Mid (pH 6-8) 2.46 6.32 -84.62 3 4 2 47 296.465 4

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

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