UCSF

ZINC62969597

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 1.41 5.37 -43.61 4 5 1 59 286.403 4
Hi High (pH 8-9.5) 1.41 2.92 -7.76 3 5 0 57 285.395 4
Mid Mid (pH 6-8) 1.41 5.32 -44.27 4 5 1 59 286.403 4
Mid Mid (pH 6-8) 1.41 5.79 -76.66 5 5 2 60 287.411 4

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

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