In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2008 | 20 | Yes |
Popular Name: 2-[[(1S)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethyl]amino]ethanol 2-[[(1S)-1-[3-fluoro-4-(4-methyl…
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) | 1.51 | 4.23 | -84.49 | 4 | 4 | 2 | 45 | 283.391 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.51 | 1.76 | -41.07 | 3 | 4 | 1 | 43 | 282.383 | 5 | ↓ |