In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 20 | Yes |
Popular Name: (1S)-N-ethyl-2-(4-isopropylpiperazin-1-yl)-1-phenyl-ethanamine (1S)-N-ethyl-2-(4-isopropylpiper…
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) | 2.65 | 8.49 | -92.5 | 3 | 3 | 2 | 24 | 277.456 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.65 | 6.27 | -33.99 | 2 | 3 | 1 | 23 | 276.448 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.65 | 8.04 | -120.5 | 3 | 3 | 2 | 24 | 277.456 | 6 | ↓ |