UCSF

ZINC13569757

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 37 No

Popular Name: (4E,5S)-1-(3-dimethylaminopropyl)-5-(2-fluorophenyl)-4-[hydroxy-[4-(m-tolylmethoxy)phenyl]methylene] (4E,5S)-1-(3-dimethylaminopropyl…

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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) 4.87 14.76 -76.14 1 6 0 74 502.586 10 ↓
Mid Mid (pH 6-8) 5.32 13.83 -46.28 2 6 1 71 503.594 9 ↓
Mid Mid (pH 6-8) 4.29 13.94 -44.38 1 6 1 68 503.594 10 ↓

Activity (Go SEA)

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