UCSF

ZINC62962358

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 17 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) 0.36 0.35 -61.33 3 4 1 65 261.411 2
Mid Mid (pH 6-8) 0.36 1.69 -42.49 3 4 1 65 261.411 2
Mid Mid (pH 6-8) 0.36 0.03 -9.66 2 4 0 63 260.403 2
Lo Low (pH 4.5-6) 0.36 2.16 -145.79 4 4 2 66 262.419 2

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

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