UCSF

ZINC20897039

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 29 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) 3.65 4.1 -42.44 3 8 -1 131 430.849 4
Hi High (pH 8-9.5) 3.19 5.86 -57.81 3 8 -1 131 430.849 4
Hi High (pH 8-9.5) 3.65 4.72 -104.27 2 8 -2 134 429.841 4
Mid Mid (pH 6-8) 3.19 5.23 -23.34 4 8 0 128 431.857 4

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

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