UCSF

ZINC49568286

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) 1.11 4.82 -109.19 4 4 2 50 239.363 5
Hi High (pH 8-9.5) 1.11 3.62 -35.17 3 4 1 46 238.355 5
Hi High (pH 8-9.5) 1.11 1.05 -7.98 2 4 0 44 237.347 5
Hi High (pH 8-9.5) 1.11 2.26 -42.01 3 4 1 49 238.355 5

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

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