UCSF

ZINC71600731

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 18 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) 3.15 2.14 -11.58 2 4 0 66 269.366 3
Hi High (pH 8-9.5) 3.15 3.04 -38.54 1 4 -1 69 268.358 3

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

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