UCSF

ZINC06878565

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2006 28 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) 3.46 9.5 -67.72 2 7 -1 107 447.24 5
Hi High (pH 8-9.5) 3.46 10.27 -97.61 1 7 -2 110 446.232 5
Mid Mid (pH 6-8) 3.46 7.49 -17.36 3 7 0 104 448.248 5
Mid Mid (pH 6-8) 3.41 8.1 -29.99 3 7 0 112 448.248 4

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

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