| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 33 | Yes |
Popular Name: (2S)-2-[(cyclopropylmethyl-hydroxy-methoxy-BLAHyl)amino]-3-methyl-butanoic (2S)-2-[(cyclopropylmethyl-hydro…
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| 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) | 1.47 | 8.36 | -82.11 | 4 | 7 | 1 | 100 | 457.591 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.47 | 5.3 | -54.92 | 2 | 7 | -1 | 94 | 455.575 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.47 | 7.56 | -84.55 | 3 | 7 | 0 | 95 | 456.583 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.47 | 6.18 | -36.22 | 3 | 7 | 0 | 99 | 456.583 | 7 | ↓ |
