UCSF

ZINC40767429

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 34 Yes

Popular Name: (S)-phenyl-[(1S,4S,7E)-7-[phenyl(2-pyridyl)methylene]-5-bicyclo[2.2.1]hept-5-enyl]-(2-pyridyl)methan (S)-phenyl-[(1S,4S,7E)-7-[phenyl…

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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) 4.81 15.34 -9.03 1 3 0 46 442.562 5 ↓
Lo Low (pH 4.5-6) 4.81 14.86 -36.46 2 3 1 47 443.57 5 ↓
Lo Low (pH 4.5-6) 4.81 15.35 -32.65 2 3 1 47 443.57 5 ↓
Lo Low (pH 4.5-6) 4.81 14.87 -79.89 3 3 2 49 444.578 5 ↓

Activity (Go SEA)

Rings

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