| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2011 | 23 | Yes |
Popular Name: (3S,4S)-1-[2-(2-aminoethyl)quinazolin-4-yl]-4-isopropoxy-pyrrolidin-3-ol (3S,4S)-1-[2-(2-aminoethyl)quina…
| 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) | 0.78 | 2.43 | -47.35 | 4 | 6 | 1 | 86 | 317.413 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.78 | 2.05 | -10.26 | 3 | 6 | 0 | 85 | 316.405 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.78 | 3.65 | -97.97 | 5 | 6 | 2 | 87 | 318.421 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.78 | 2.85 | -99.06 | 5 | 6 | 2 | 87 | 318.421 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
