UCSF

ZINC13549704

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 34 No

Popular Name: (4E,5S)-4-(hydroxy-phenyl-methylene)-1-(3-pyridylmethyl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-d (4E,5S)-4-(hydroxy-phenyl-methyl…

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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) 2.17 8.86 -60.53 0 8 -1 101 459.478 8 ↓
Mid Mid (pH 6-8) 2.62 7.37 -23.09 1 8 0 98 460.486 7 ↓
Lo Low (pH 4.5-6) 2.62 7.65 -47.01 2 8 1 99 461.494 7 ↓

Activity (Go SEA)

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