In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 20 | Yes |
Popular Name: (3S)-3-amino-3-phenyl-1-(4-propylpiperazin-1-yl)propan-1-one (3S)-3-amino-3-phenyl-1-(4-propy…
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) | -0.18 | 4.79 | -41.71 | 3 | 4 | 1 | 51 | 276.404 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.18 | 4.42 | -7.92 | 2 | 4 | 0 | 50 | 275.396 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.18 | 7.05 | -97.8 | 4 | 4 | 2 | 52 | 277.412 | 5 | ↓ |