UCSF

ZINC38587783

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 25 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) 0.53 2.35 -45.82 1 9 -1 103 343.367 8
Hi High (pH 8-9.5) 0.53 1.36 -107.42 0 9 -2 105 342.359 8
Hi High (pH 8-9.5) 0.53 2.42 -35.16 1 9 -1 103 343.367 6
Mid Mid (pH 6-8) 0.53 3.18 -29.82 2 9 0 105 344.375 7

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

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