UCSF

ZINC20120605

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 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) 2.12 0.73 -6.12 2 4 0 45 264.369 5
Hi High (pH 8-9.5) 2.12 3.4 -33.46 2 4 0 52 264.369 5
Mid Mid (pH 6-8) 2.12 2.61 -38.43 3 4 1 49 265.377 5
Lo Low (pH 4.5-6) 2.12 3.15 -31.44 3 4 1 46 265.377 5

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

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