UCSF

ZINC43968560

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 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) 2.90 8.27 -110.49 3 3 2 30 266.429 8
Hi High (pH 8-9.5) 2.90 6.47 -31.28 2 3 1 29 265.421 8
Hi High (pH 8-9.5) 2.90 5.42 -2.72 1 3 0 24 264.413 8
Mid Mid (pH 6-8) 2.90 7.11 -33.17 2 3 1 26 265.421 8

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