UCSF

ZINC13551118

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 32 No

Popular Name: (4E,5R)-5-(3,4-dichlorophenyl)-4-(hydroxy-phenyl-methylene)-1-(3-morpholinopropyl)pyrrolidine-2,3-di (4E,5R)-5-(3,4-dichlorophenyl)-4…

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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) 3.81 8.31 -60.18 0 6 -1 73 474.364 7 ↓
Mid Mid (pH 6-8) 4.25 10.74 -50.96 2 6 1 71 476.38 6 ↓
Mid Mid (pH 6-8) 3.23 11.35 -53.49 1 6 1 68 476.38 7 ↓
Mid Mid (pH 6-8) 3.81 10.65 -71.47 1 6 0 74 475.372 7 ↓

Activity (Go SEA)

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