UCSF

ZINC41478238

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 24 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) 2.03 4.7 -31.24 2 6 1 67 330.408 6
Mid Mid (pH 6-8) 2.03 4.53 -12.39 1 6 0 66 329.4 6
Mid Mid (pH 6-8) 2.03 6.83 -48.39 2 6 1 67 330.408 6
Lo Low (pH 4.5-6) 2.03 6.99 -84.22 3 6 2 68 331.416 6

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

No pre-computed analogs available. Try a structural similarity search.