In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 24th, 2008 | 14 | Yes |
Popular Name: (1S,2S)-2-(4-ethylpiperazin-1-yl)cyclopentan-1-amine (1S,2S)-2-(4-ethylpiperazin-1-yl…
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) | 0.37 | 2.8 | -97.03 | 4 | 3 | 2 | 35 | 199.342 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.37 | 0.5 | -44.91 | 3 | 3 | 1 | 34 | 198.334 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.37 | 2.71 | -113.88 | 4 | 3 | 2 | 35 | 199.342 | 2 | ↓ |