| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 17 | Yes |
Popular Name: [(3S)-1-[(1R)-2-amino-1-(3-methyl-2-thienyl)ethyl]-3-piperidyl]methanol [(3S)-1-[(1R)-2-amino-1-(3-methy…
| 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) | 1.15 | 0.95 | -45.9 | 4 | 3 | 1 | 51 | 255.407 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.15 | 0.75 | -3.44 | 3 | 3 | 0 | 49 | 254.399 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.15 | 2.78 | -33.1 | 4 | 3 | 1 | 51 | 255.407 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.15 | 3.15 | -117.56 | 5 | 3 | 2 | 52 | 256.415 | 4 | ↓ |
