| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 17 | Yes |
Popular Name: (2S)-2-amino-2-cyclopropyl-3-(4-methyl-1,4-diazepan-1-yl)propanamide (2S)-2-amino-2-cyclopropyl-3-(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) | -0.43 | 1.03 | -107.16 | 6 | 5 | 2 | 78 | 242.367 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.43 | -1.23 | -5.94 | 4 | 5 | 0 | 76 | 240.351 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.43 | 1.37 | -38.35 | 5 | 5 | 1 | 77 | 241.359 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
