UCSF

ZINC71514801

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 20 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) 2.32 2.71 -16.59 1 5 0 58 311.432 4
Hi High (pH 8-9.5) 2.77 1.24 -48.01 0 5 -1 61 310.424 4
Mid Mid (pH 6-8) 2.32 5.49 -50.38 2 5 1 59 312.44 4

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

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