| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 19 | No |
Popular Name: (3S)-1-[2-[4-(chloromethyl)thiazol-2-yl]ethyl]-N,N-diethyl-pyrrolidin-3-amine (3S)-1-[2-[4-(chloromethyl)thiaz…
| 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) | 2.52 | 6.45 | -35.16 | 1 | 3 | 1 | 21 | 302.895 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.52 | 4.41 | -4.34 | 0 | 3 | 0 | 19 | 301.887 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.52 | 8.86 | -110.4 | 2 | 3 | 2 | 22 | 303.903 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
