UCSF

ZINC66138773

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 44 No

Popular Name: (5S)-5-benzyl-1-[[(2S)-1-[(2S)-2-[(4R)-3-[2-(3,4-dichlorophenyl)ethyl]-2-imino-4-[(1R)-1-methylpropy (5S)-5-benzyl-1-[[(2S)-1-[(2S)-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) 7.45 22.57 -201.49 6 7 3 80 643.772 14 ↓
Hi High (pH 8-9.5) 7.45 21.46 -89.79 5 7 2 79 642.764 14 ↓

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

No pre-computed analogs available. Try a structural similarity search.