In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2010 | 16 | Yes |
Popular Name: (1R)-N-cyclopropyl-N-isobutyl-1-[(3S)-tetrahydrofuran-3-yl]ethane-1,2-diamine (1R)-N-cyclopropyl-N-isobutyl-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) | 1.11 | 2.91 | -45.12 | 3 | 3 | 1 | 40 | 227.372 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.11 | 4.41 | -119.27 | 4 | 3 | 2 | 41 | 228.38 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.11 | 4.25 | -29.04 | 3 | 3 | 1 | 40 | 227.372 | 6 | ↓ |