UCSF

ZINC49568288

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 5.03 -108.15 4 4 2 50 239.363 5
Hi High (pH 8-9.5) 1.11 4.03 -37.34 3 4 1 46 238.355 5
Hi High (pH 8-9.5) 1.11 1.45 -6.57 2 4 0 44 237.347 5
Hi High (pH 8-9.5) 1.11 2.45 -42.2 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.