In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 16 | Yes |
Popular Name: (2S)-N2-ethyl-3-phenyl-N2-propyl-propane-1,2-diamine (2S)-N2-ethyl-3-phenyl-N2-propyl…
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) | 2.19 | 5.57 | -45.92 | 3 | 2 | 1 | 31 | 221.368 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.19 | 5.42 | -1.72 | 2 | 2 | 0 | 29 | 220.36 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.19 | 7.27 | -27.74 | 3 | 2 | 1 | 30 | 221.368 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.19 | 6.55 | -119.42 | 4 | 2 | 2 | 32 | 222.376 | 7 | ↓ |