UCSF

ZINC42454828

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.35 1.53 -9.33 3 5 0 83 263.341 7
Mid Mid (pH 6-8) 1.35 3.62 -52.61 4 5 1 84 264.349 7

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Rings

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