In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 18 | Yes |
Popular Name: (4-isopentylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone (4-isopentylpiperazin-1-yl)-[(2S…
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) | 1.38 | 4.19 | -37.27 | 2 | 4 | 1 | 40 | 254.398 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.38 | 6.41 | -95.74 | 3 | 4 | 2 | 41 | 255.406 | 4 | ↓ |