| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 15 | Yes |
Popular Name: (3S)-1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrrolidin-3-amine (3S)-1-[(4R)-4,5,6,7-tetrahydrob…
| 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) | 1.33 | 5.04 | -31.48 | 3 | 2 | 1 | 30 | 223.365 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.33 | 2.99 | -46.29 | 3 | 2 | 1 | 31 | 223.365 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.33 | 5.33 | -117.63 | 4 | 2 | 2 | 32 | 224.373 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
