UCSF

ZINC51481398

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 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) 1.53 6.41 -42.26 2 4 1 42 250.366 5
Hi High (pH 8-9.5) 1.53 5.46 -24.67 2 4 1 39 250.366 5
Hi High (pH 8-9.5) 1.53 4.97 -5.8 1 4 0 37 249.358 5

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

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