UCSF

ZINC52538853

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.72 10.41 -41.49 2 4 1 36 329.855 6
Hi High (pH 8-9.5) 3.72 7.93 -7.85 1 4 0 35 328.847 6
Lo Low (pH 4.5-6) 3.72 11.18 -99.1 3 4 2 38 330.863 6

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

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