UCSF

ZINC43242560

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 2.89 7.45 -27.99 3 3 1 40 299.504 9
Hi High (pH 8-9.5) 2.89 5.97 -39.05 3 3 1 40 299.504 9
Hi High (pH 8-9.5) 2.89 5.79 -2.05 2 3 0 38 298.496 9
Mid Mid (pH 6-8) 2.89 7.75 -99.14 4 3 2 41 300.512 9

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