| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 21 | Yes |
Popular Name: (3S)-3-amino-1-(4-tert-butylpiperazin-1-yl)-3-phenyl-propan-1-one (3S)-3-amino-1-(4-tert-butylpipe…
| 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) | 0.13 | 4.86 | -39.71 | 3 | 4 | 1 | 51 | 290.431 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.13 | 4.54 | -6.19 | 2 | 4 | 0 | 50 | 289.423 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.13 | 6.92 | -93.12 | 4 | 4 | 2 | 52 | 291.439 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
