UCSF

ZINC04774150

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2006 17 No

Popular Name: 1-Indanone, 2-(3-pyridylmethylene)-; 2-(3-Picolylidene)-1-indanone; 2-(3-Pyridylmethylene)1-indanone; BRN 1529834; LS-81339; NSC 247999 1-Indanone, 2-(3-pyridylmethylen…

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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) 2.33 7.7 -10.8 0 2 0 30 221.259 1 ↓
Lo Low (pH 4.5-6) 2.33 7.98 -44.71 1 2 1 31 222.267 1 ↓

Activity (Go SEA)

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