UCSF

ZINC24887454

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

    None

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) 0.66 2.87 -41.09 2 4 1 36 263.409 6
Hi High (pH 8-9.5) 0.66 3.92 -42.34 2 4 1 33 263.409 6
Hi High (pH 8-9.5) 0.66 4.17 -36.82 2 4 1 33 263.409 6
Mid Mid (pH 6-8) 0.66 5.36 -115.42 3 4 2 37 264.417 6
Lo Low (pH 4.5-6) 0.66 7.61 -204.97 4 4 3 38 265.425 6

Activity (Go SEA)

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