UCSF

ZINC35017693

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 34 No

Popular Name: (2Z,10S)-10-[benzyl(methyl)amino]-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-8-methyl-6,7,9 (2Z,10S)-10-[benzyl(methyl)amino…

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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) 1.90 8.63 -72.03 2 8 0 98 465.529 6 ↓
Mid Mid (pH 6-8) 1.90 8.03 -52.51 3 8 1 95 466.537 6 ↓
Mid Mid (pH 6-8) 1.90 6.4 -11.2 2 8 0 94 465.529 6 ↓
Mid Mid (pH 6-8) 1.90 7.01 -53.71 1 8 -1 97 464.521 6 ↓
Lo Low (pH 4.5-6) 1.90 9.71 -101.99 4 8 2 97 467.545 6 ↓

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