In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2009 | 13 | Yes |
Popular Name: (3R,4S)-N3-cyclopropyl-N3-ethyl-tetrahydropyran-3,4-diamine (3R,4S)-N3-cyclopropyl-N3-ethyl-…
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) | 0.05 | 0.64 | -40.56 | 3 | 3 | 1 | 40 | 185.291 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.05 | 0.35 | -1.85 | 2 | 3 | 0 | 38 | 184.283 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.05 | 2.72 | -113.8 | 4 | 3 | 2 | 41 | 186.299 | 3 | ↓ |