UCSF

ZINC20123685

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 No

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) 2.27 4.34 -11.68 2 5 0 45 309.483 5
Mid Mid (pH 6-8) 2.27 6.15 -54.78 3 5 1 46 310.491 5
Mid Mid (pH 6-8) 2.23 4.62 -9.99 2 5 0 43 309.483 6
Mid Mid (pH 6-8) 2.23 4.5 -9.45 2 5 0 43 309.483 6
Lo Low (pH 4.5-6) 2.23 8.53 -134.22 4 5 2 45 311.499 6
Lo Low (pH 4.5-6) 2.23 6.38 -53.62 3 5 1 44 310.491 6
Lo Low (pH 4.5-6) 2.23 6.62 -55.54 3 5 1 44 310.491 6

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

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