| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 17 | Yes |
Popular Name: [(3S)-1-[(1S)-2-amino-1-(5-methyl-2-thienyl)ethyl]-3-piperidyl]methanol [(3S)-1-[(1S)-2-amino-1-(5-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) | 0.99 | 1.25 | -46.63 | 4 | 3 | 1 | 51 | 255.407 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.99 | 0.87 | -5.01 | 3 | 3 | 0 | 49 | 254.399 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.99 | 2.73 | -30.06 | 4 | 3 | 1 | 51 | 255.407 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.99 | 3.44 | -119.06 | 5 | 3 | 2 | 52 | 256.415 | 4 | ↓ |
