In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2010 | 20 | Yes |
Popular Name: 2-chloro-N-[2-(4-ethylpiperazin-1-yl)ethyl]pyridine-4-carboxamide 2-chloro-N-[2-(4-ethylpiperazin-…
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) | 1.16 | 3.68 | -43.27 | 2 | 5 | 1 | 50 | 297.81 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.16 | 1.4 | -10.74 | 1 | 5 | 0 | 48 | 296.802 | 5 | ↓ |