In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 19 | Yes |
Popular Name: 2-[[(1R,2S)-2-amino-1-(5-chloro-2-thienyl)propyl]-methyl-amino]-N-cyclopropyl-acetamide 2-[[(1R,2S)-2-amino-1-(5-chloro-…
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) | 1.80 | 2.69 | -46.47 | 4 | 4 | 1 | 60 | 302.851 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.80 | 3.14 | -6.58 | 3 | 4 | 0 | 58 | 301.843 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.80 | 4.81 | -122.95 | 5 | 4 | 2 | 61 | 303.859 | 6 | ↓ |