UCSF

ZINC62316361

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 21 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) 1.62 3.62 -14.92 1 6 0 76 322.777 4
Hi High (pH 8-9.5) 1.62 3.27 -45.16 0 6 -1 78 321.769 4
Lo Low (pH 4.5-6) 1.62 4.09 -41.35 2 6 1 78 323.785 4

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

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