UCSF

ZINC62572855

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 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) 0.78 -0.18 -50.96 1 9 -1 124 385.447 4
Lo Low (pH 4.5-6) 0.78 -0.32 -18.22 2 9 0 121 386.455 4

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

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