In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 16 | Yes |
Popular Name: 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(2-methylthiazol-4-yl)methyl]methanamine 1-[(2S)-1-ethylpyrrolidin-2-yl]-…
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) | 1.18 | 4.79 | -32.63 | 2 | 3 | 1 | 29 | 240.396 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.18 | 2.46 | -3.64 | 1 | 3 | 0 | 28 | 239.388 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.18 | 3.84 | -39.01 | 2 | 3 | 1 | 33 | 240.396 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.18 | 6.18 | -108.18 | 3 | 3 | 2 | 34 | 241.404 | 5 | ↓ |