In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 20 | Yes |
Popular Name: (1S)-2-(4-cyclopropylpiperazin-1-yl)-N-ethyl-1-phenyl-ethanamine (1S)-2-(4-cyclopropylpiperazin-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) | 2.34 | 8.71 | -92.23 | 3 | 3 | 2 | 24 | 275.44 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.34 | 6.49 | -34.57 | 2 | 3 | 1 | 23 | 274.432 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.34 | 8.29 | -121.51 | 3 | 3 | 2 | 24 | 275.44 | 6 | ↓ |