| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 17 | Yes |
Popular Name: (2S)-2-(cyclopropylamino)-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propanoic (2S)-2-(cyclopropylamino)-3-[(3S…
| 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) | -1.58 | 4.74 | -64.57 | 3 | 5 | 1 | 64 | 242.343 | 6 | ↓ |
| Hi High (pH 8-9.5) | -1.58 | 4.93 | -39.56 | 2 | 5 | 0 | 60 | 241.335 | 6 | ↓ |
| Hi High (pH 8-9.5) | -1.58 | 2.74 | -37.02 | 2 | 5 | 0 | 63 | 241.335 | 6 | ↓ |
| Mid Mid (pH 6-8) | -1.58 | 5.12 | -67.49 | 3 | 5 | 1 | 64 | 242.343 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
