UCSF

ZINC62974351

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 20 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) 3.00 9.47 -109.36 3 3 2 21 277.456 8
Hi High (pH 8-9.5) 3.00 4.89 -2.34 1 3 0 19 275.44 8
Mid Mid (pH 6-8) 3.00 6.99 -32.8 2 3 1 20 276.448 8
Mid Mid (pH 6-8) 3.00 7.37 -38.88 2 3 1 20 276.448 8

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

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