UCSF

ZINC65499000

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 26 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) 1.47 5.55 -85.22 4 8 1 99 353.454 6
Hi High (pH 8-9.5) 1.47 2.75 -38.73 2 8 -1 97 351.438 6
Mid Mid (pH 6-8) 1.47 3.26 -42.72 3 8 0 98 352.446 6

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

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