UCSF

ZINC49567426

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 5.75 -108.94 3 4 2 41 239.363 4
Hi High (pH 8-9.5) 0.35 4.59 -37.49 2 4 1 37 238.355 4
Hi High (pH 8-9.5) 0.35 2.08 -8.36 1 4 0 36 237.347 4
Hi High (pH 8-9.5) 0.35 3.24 -42.29 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.