UCSF

ZINC37106349

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 1.46 8.51 -42.33 2 3 1 34 240.396 6
Hi High (pH 8-9.5) 1.46 7.62 -6.19 1 3 0 30 239.388 6
Mid Mid (pH 6-8) 1.46 9.66 -102.94 3 3 2 36 241.404 6

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

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