UCSF

ZINC09007827

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 37 No

Popular Name: 4-[(3,4-dimethoxyphenyl)-hydroxy-methylene]-1-(3-morpholinopropyl)-5-(3-nitrophenyl)-pyrrolidine-2,3 4-[(3,4-dimethoxyphenyl)-hydroxy…

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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) 2.11 7.74 -55.48 0 11 -1 137 510.523 10 ↓
Mid Mid (pH 6-8) 1.52 10.32 -59.71 1 11 1 132 512.539 10 ↓
Mid Mid (pH 6-8) 2.55 9.31 -52.76 2 11 1 136 512.539 9 ↓
Mid Mid (pH 6-8) 2.11 10.08 -78.4 1 11 0 138 511.531 10 ↓

Activity (Go SEA)

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