UCSF

ZINC09354215

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 37 No

Popular Name: 4-[hydroxy-[4-(o-tolylmethoxy)phenyl]-methylene]-5-(4-pyridyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-di 4-[hydroxy-[4-(o-tolylmethoxy)ph…

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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) 3.30 11.12 -61.8 0 7 -1 95 490.539 8 ↓
Mid Mid (pH 6-8) 2.72 -0.38 -14.53 0 7 0 89 491.547 8 ↓
Mid Mid (pH 6-8) 3.75 11.43 -13.97 1 7 0 93 491.547 7 ↓
Lo Low (pH 4.5-6) 3.75 11.72 -64 2 7 1 94 492.555 7 ↓
Lo Low (pH 4.5-6) 3.75 11.7 -47.93 2 7 1 94 492.555 7 ↓
Lo Low (pH 4.5-6) 3.75 12 -116.71 3 7 2 95 493.563 7 ↓
Lo Low (pH 4.5-6) 2.72 -0.26 -52.3 1 7 1 90 492.555 8 ↓
Lo Low (pH 4.5-6) 2.72 -0.26 -49.76 1 7 1 90 492.555 8 ↓
Lo Low (pH 4.5-6) 2.72 -0.15 -105.86 2 7 2 91 493.563 8 ↓

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