| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 31 | Yes |
Popular Name: (3S)-4-[4-[3-[(6-aminopyridin-1-ium-2-yl)amino]propoxy]phenyl]-3-(4-fluorophenyl)butyrate (3S)-4-[4-[3-[(6-aminopyridin-1-…
| 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) | 2.80 | 11.9 | -62.57 | 4 | 6 | 0 | 102 | 423.488 | 11 | ↓ |
| Hi High (pH 8-9.5) | 2.80 | 11.42 | -49.31 | 3 | 6 | -1 | 100 | 422.48 | 11 | ↓ |
| Lo Low (pH 4.5-6) | 2.80 | 9.9 | -36.18 | 5 | 6 | 1 | 99 | 424.496 | 11 | ↓ |
