UCSF

ZINC43896193

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 3.27 7.4 -111.24 3 4 2 40 300.487 7
Hi High (pH 8-9.5) 3.27 3.76 -2.07 1 4 0 34 298.471 7
Hi High (pH 8-9.5) 3.27 8.04 -28.5 2 4 1 35 299.479 7
Mid Mid (pH 6-8) 3.27 5.37 -35.13 2 4 1 38 299.479 7

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