In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 15 | Yes |
Popular Name: (1R)-N-cyclopropyl-N-propyl-1-[(3S)-tetrahydrofuran-3-yl]ethane-1,2-diamine (1R)-N-cyclopropyl-N-propyl-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) | 0.87 | 2.52 | -47.22 | 3 | 3 | 1 | 40 | 213.345 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.86 | 2.32 | -2.28 | 2 | 3 | 0 | 38 | 212.337 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.87 | 3.72 | -117.14 | 4 | 3 | 2 | 41 | 214.353 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.87 | 4.24 | -28.25 | 3 | 3 | 1 | 40 | 213.345 | 6 | ↓ |