In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2011 | 18 | Yes |
Popular Name: (3S)-3-(4,5-dimethylthiazol-2-yl)-N-propyl-heptan-3-amine (3S)-3-(4,5-dimethylthiazol-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) | 4.56 | 8.37 | -35.52 | 2 | 2 | 1 | 29 | 269.478 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.56 | 7.69 | -2.91 | 1 | 2 | 0 | 25 | 268.47 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.56 | 8.7 | -93.23 | 3 | 2 | 2 | 31 | 270.486 | 8 | ↓ |