UCSF

ZINC66884350

Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2011 25 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) 1.24 9.01 -59.35 1 6 1 60 363.507 6
Hi High (pH 8-9.5) 1.24 6.78 -14.42 0 6 0 58 362.499 6
Lo Low (pH 4.5-6) 1.24 9.54 -100.01 2 6 2 61 364.515 6

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

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