| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2009 | 9 | No |
Popular Name: 1,3-Propanediamine, 2-(1-aziridinylmethyl)- (9CI) 1,3-Propanediamine, 2-(1-aziridi…
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CAS Number: 622400-06-0
| 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) | -1.82 | -4.08 | -119.73 | 6 | 3 | 2 | 58 | 131.223 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.82 | -0.35 | -94.41 | 6 | 3 | 2 | 61 | 131.223 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.82 | -0.68 | -210.78 | 7 | 3 | 3 | 62 | 132.231 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.82 | -3.56 | -41.95 | 5 | 3 | 1 | 57 | 130.215 | 4 | ↓ |
