| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 19 | Yes |
Popular Name: (2S)-2-amino-N-[2-(3-methyl-1H-1,2,4-triazol-5-yl)phenyl]butanamide (2S)-2-amino-N-[2-(3-methyl-1H-1…
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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) | 0.47 | 3.8 | -43.94 | 5 | 6 | 1 | 98 | 260.321 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.47 | 3.31 | -10.33 | 4 | 6 | 0 | 97 | 259.313 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.47 | 3.46 | -9.94 | 4 | 6 | 0 | 97 | 259.313 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.47 | 3.62 | -45.24 | 5 | 6 | 1 | 98 | 260.321 | 4 | ↓ |
