UCSF

ZINC05647206

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2006 20 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) 3.62 7.92 -15.83 2 5 0 71 262.272 2
Mid Mid (pH 6-8) 3.36 6.18 -27.66 3 5 1 75 263.28 1
Mid Mid (pH 6-8) 3.36 7.22 -26.5 3 5 1 75 263.28 1
Lo Low (pH 4.5-6) 3.62 8.43 -37.54 3 5 1 72 263.28 2

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

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