| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2008 | 12 | Yes |
Popular Name: N-[4-(aminomethyl)phenyl]urea N-[4-(aminomethyl)phenyl]urea
Find On: PubMed — Wikipedia — Google
CAS Number: 164648-48-0
| 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) | 0.26 | -1.4 | -50.93 | 6 | 4 | 1 | 83 | 166.204 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.12 | -4.31 | -9.74 | 5 | 4 | 0 | 85 | 165.196 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.26 | -1.8 | -10.03 | 5 | 4 | 0 | 81 | 165.196 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.01 | -2.88 | -90.53 | 7 | 4 | 2 | 85 | 167.212 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
