UCSF

ZINC43976842

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) 3.24 7.47 -113.97 3 3 2 30 270.461 5
Hi High (pH 8-9.5) 3.24 4.77 -0.86 1 3 0 24 268.445 5
Hi High (pH 8-9.5) 3.24 6.29 -34.69 2 3 1 29 269.453 5
Mid Mid (pH 6-8) 3.24 7.91 -29.25 2 3 1 26 269.453 5

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