UCSF

ZINC59713446

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 45 No

Popular Name: (2S)-2-amino-N-[4-[5-[3-[[(2R)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]amino]propyl]-3-me (2S)-2-amino-N-[4-[5-[3-[[(2R)-2…

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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) 1.64 2.08 -26.76 9 11 0 196 620.795 15 ↓
Mid Mid (pH 6-8) 1.64 2.25 -62.93 10 11 1 198 621.803 15 ↓
Mid Mid (pH 6-8) 1.64 2.34 -67.25 10 11 1 198 621.803 15 ↓
Mid Mid (pH 6-8) 1.64 2.56 -110.2 11 11 2 200 622.811 15 ↓

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