UCSF

ZINC62996783

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 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) 3.46 11.02 -49.67 0 4 -1 34 289.428 6
Lo Low (pH 4.5-6) 2.74 11.34 -29.51 2 4 0 38 291.444 6
Lo Low (pH 4.5-6) 2.74 11.24 -10.55 1 4 0 37 290.436 6
Lo Low (pH 4.5-6) 3.46 11.14 -65.37 1 4 0 35 290.436 6

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

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