UCSF

ZINC61385804

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 26 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) 2.25 7.21 -43.05 5 8 1 106 352.374 1
Hi High (pH 8-9.5) 2.12 6.76 -50.08 3 8 -1 110 350.358 1
Mid Mid (pH 6-8) 2.12 6.51 -43.35 5 8 1 109 352.374 1
Mid Mid (pH 6-8) 2.12 6 -20.77 4 8 0 107 351.366 1

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

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