| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 10th, 2011 | 29 | No |
Popular Name: 1-(2-diethylaminoethyl)-1-(2H-indol-3-ylmethyl)-3-(4-methoxyphenyl)thiourea 1-(2-diethylaminoethyl)-1-(2H-in…
| 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) | 3.98 | 12.12 | -103.02 | 3 | 5 | 2 | 43 | 412.603 | 11 | ↓ |
| Hi High (pH 8-9.5) | 3.98 | 10.08 | -31.93 | 2 | 5 | 1 | 42 | 411.595 | 11 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
