UCSF

ZINC43253722

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.37 5.1 -108.27 5 4 2 61 331.913 5
Hi High (pH 8-9.5) 2.37 2.65 -8.17 3 4 0 58 329.897 5
Mid Mid (pH 6-8) 2.37 4.82 -31.06 4 4 1 60 330.905 5
Mid Mid (pH 6-8) 2.37 2.9 -46.62 4 4 1 60 330.905 5

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