UCSF

ZINC62969589

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 20 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) 0.72 3.66 -40.98 4 6 1 72 293.42 4
Hi High (pH 8-9.5) 0.72 1.27 -9.12 3 6 0 70 292.412 4
Mid Mid (pH 6-8) 0.72 3.68 -33.06 4 6 1 72 293.42 4

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

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