UCSF

ZINC66666542

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2011 22 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) 1.52 6.35 -41.64 1 5 1 37 306.43 8
Hi High (pH 8-9.5) 1.52 4.01 -6.66 0 5 0 36 305.422 8
Lo Low (pH 4.5-6) 1.52 8.54 -95.76 2 5 2 38 307.438 8

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

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