UCSF

ZINC62967682

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 17 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) 3.05 8.26 -32.33 1 2 1 8 259.845 7
Hi High (pH 8-9.5) 3.05 5.86 -2 0 2 0 6 258.837 7
Mid Mid (pH 6-8) 3.05 8.21 -35.19 1 2 1 8 259.845 7
Mid Mid (pH 6-8) 3.05 10.61 -105.1 2 2 2 9 260.853 7

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

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