UCSF

ZINC17837966

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2008 32 No

Popular Name: (4E,5R)-4-[hydroxy-(4-methoxyphenyl)methylene]-5-(4-methoxyphenyl)-1-(4-pyridylmethyl)pyrrolidine-2, (4E,5R)-4-[hydroxy-(4-methoxyphe…

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Download: MOL2 SDF SMILES Flexibase

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) 2.60 7.57 -61.71 0 7 -1 92 429.452 7 ↓
Mid Mid (pH 6-8) 2.60 8.35 -13.72 1 7 0 89 430.46 7 ↓
Mid Mid (pH 6-8) 2.02 8.7 -13.87 0 7 0 86 430.46 7 ↓
Lo Low (pH 4.5-6) 2.60 8.63 -43.71 2 7 1 90 431.468 7 ↓
Lo Low (pH 4.5-6) 2.02 8.98 -46 1 7 1 87 431.468 7 ↓

Activity (Go SEA)

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