| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 20 | Yes |
Popular Name: 4-amino-2-[2-chloro-4-[(1S)-1-(methylamino)ethyl]phenyl]sulfanyl-1H-pyrimidin-6-one 4-amino-2-[2-chloro-4-[(1S)-1-(m…
| 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) | 2.46 | 4.53 | -56.52 | 5 | 5 | 1 | 88 | 311.818 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.46 | 3.36 | -10.26 | 4 | 5 | 0 | 84 | 310.81 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.92 | 2.58 | -74.16 | 4 | 5 | 0 | 91 | 310.81 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
