| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 15th, 2011 | 19 | Yes |
Popular Name: (1S)-N'-(6-isopropylpyrimidin-4-yl)-1-phenyl-ethane-1,2-diamine (1S)-N'-(6-isopropylpyrimidin-4-…
| 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) | 0.60 | 6.23 | -50.78 | 4 | 4 | 1 | 65 | 257.361 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.60 | 5.79 | -5.56 | 3 | 4 | 0 | 64 | 256.353 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.60 | 6.88 | -99.02 | 5 | 4 | 2 | 67 | 258.369 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
