In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 18 | No |
Popular Name: (3S)-1-[(1S)-1-[4-(chloromethyl)thiazol-2-yl]propyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(1S)-1-[4-(chloromethyl)…
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) | 2.43 | 5.51 | -38.83 | 1 | 3 | 1 | 21 | 288.868 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.43 | 3.11 | -4.74 | 0 | 3 | 0 | 19 | 287.86 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.