UCSF

ZINC26569942

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 34 Yes

Popular Name: (2S)-2-[[(2S,3S)-3-amino-2-hydroxy-4-phenyl-butyl]amino]-N-[(1R,2R)-2-hydroxyindan-1-yl]-3-phenyl-pr (2S)-2-[[(2S,3S)-3-amino-2-hydro…

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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) 1.95 5.81 -122.67 8 6 2 114 461.606 10 ↓
Hi High (pH 8-9.5) 1.95 4.18 -17.12 6 6 0 108 459.59 10 ↓
Hi High (pH 8-9.5) 1.95 4.47 -45.78 7 6 1 109 460.598 10 ↓
Mid Mid (pH 6-8) 1.95 5.52 -52.06 7 6 1 112 460.598 10 ↓

Activity (Go SEA)

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