UCSF

ZINC66666561

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2011 23 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) 1.86 6.84 -39.36 1 5 1 37 320.457 8
Hi High (pH 8-9.5) 1.86 4.52 -6.11 0 5 0 36 319.449 8
Lo Low (pH 4.5-6) 1.86 9.09 -91.83 2 5 2 38 321.465 8

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

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