UCSF

ZINC62532668

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 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) 1.03 6.53 -85.73 3 5 2 51 285.432 9
Mid Mid (pH 6-8) 1.03 5.21 -38.18 2 5 1 46 284.424 9
Mid Mid (pH 6-8) 1.03 6.19 -33.84 2 5 1 46 284.424 9
Lo Low (pH 4.5-6) 1.03 7.35 -119.01 3 5 2 47 285.432 9

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

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