UCSF

ZINC35017569

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 33 No

Popular Name: (2Z,9S)-9-(dimethylaminomethyl)-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-8-(oxazol-4-ylme (2Z,9S)-9-(dimethylaminomethyl)-…

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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) 0.43 2.61 -46.74 3 10 1 121 457.486 7 ↓
Hi High (pH 8-9.5) 0.43 0.73 -55.05 1 10 -1 123 455.47 7 ↓
Mid Mid (pH 6-8) 0.43 3.22 -65.36 2 10 0 124 456.478 7 ↓
Lo Low (pH 4.5-6) 0.43 3.46 -114.88 4 10 2 123 458.494 7 ↓

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