UCSF

ZINC52507765

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 21 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) 3.26 9.97 -29.52 2 3 1 26 291.459 7
Hi High (pH 8-9.5) 3.26 7.28 -2.37 1 3 0 24 290.451 7
Mid Mid (pH 6-8) 3.26 7.93 -37.03 2 3 1 29 291.459 7
Mid Mid (pH 6-8) 3.26 9.77 -112.83 3 3 2 30 292.467 7

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

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