UCSF

ZINC62809995

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 13 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) -0.12 4.66 -81.76 3 4 2 45 183.255 5
Hi High (pH 8-9.5) -0.12 2.45 -8.15 1 4 0 39 181.239 5
Mid Mid (pH 6-8) -0.12 4.15 -45.34 2 4 1 44 182.247 5

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

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