| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 24th, 2011 | 25 | No |
Popular Name: 1-[4-[ethyl(isopropyl)amino]phenyl]-3-(3-morpholinopropyl)thiourea 1-[4-[ethyl(isopropyl)amino]phen…
| 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) | 2.65 | 7.26 | -28.92 | 3 | 5 | 0 | 41 | 365.567 | 10 | ↓ |
| Mid Mid (pH 6-8) | 2.65 | 9.16 | -49.16 | 3 | 5 | 1 | 41 | 365.567 | 10 | ↓ |
| Mid Mid (pH 6-8) | 2.65 | 9.53 | -73.76 | 4 | 5 | 0 | 42 | 366.575 | 10 | ↓ |
| Mid Mid (pH 6-8) | 2.65 | 6.88 | -12.62 | 2 | 5 | 0 | 40 | 364.559 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
