In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 18 | Yes |
Popular Name: 2-[[(2S)-3-amino-2-methyl-propyl]-methyl-amino]-N-benzyl-acetamide 2-[[(2S)-3-amino-2-methyl-propyl…
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) | 0.90 | 4.51 | -108.37 | 5 | 4 | 2 | 61 | 251.374 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.90 | 4.13 | -38.2 | 4 | 4 | 1 | 60 | 250.366 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.90 | 2.69 | -42.7 | 4 | 4 | 1 | 60 | 250.366 | 7 | ↓ |