UCSF

ZINC49567424

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 17 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) 0.35 6.14 -108.77 3 4 2 41 239.363 4
Hi High (pH 8-9.5) 0.35 5.22 -38.18 2 4 1 37 238.355 4
Hi High (pH 8-9.5) 0.35 2.74 -7.31 1 4 0 36 237.347 4
Hi High (pH 8-9.5) 0.35 3.66 -41.52 2 4 1 40 238.355 4

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

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