UCSF

ZINC39590271

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2010 29 No

Popular Name: (2R)-2-[[4-[[(2S)-2-amino-3-sulfanyl-propyl]amino]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic (2R)-2-[[4-[[(2S)-2-amino-3-sulf…

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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) 0.47 8.48 -95.44 5 6 0 109 433.599 11 ↓
Hi High (pH 8-9.5) 0.47 8.94 -90.94 5 6 -1 109 432.591 11 ↓
Hi High (pH 8-9.5) 0.47 8.03 -58.81 4 6 -1 107 432.591 11 ↓

Activity (Go SEA)

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