In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 17 | Yes |
Popular Name: (2S)-2-methyl-3-[4-[[(2S)-tetrahydrofuran-2-yl]methyl]piperazin-1-yl]propan-1-amine (2S)-2-methyl-3-[4-[[(2S)-tetrah…
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) | 0.16 | 3.1 | -86.21 | 4 | 4 | 2 | 45 | 243.395 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.16 | 0.86 | -43.79 | 3 | 4 | 1 | 43 | 242.387 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.16 | 2.82 | -102.42 | 4 | 4 | 2 | 45 | 243.395 | 5 | ↓ |