In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 16 | Yes |
Popular Name: (3R,4S)-N3-(cyclopropylmethyl)-N3-methyl-N4-propyl-tetrahydropyran-3,4-diamine (3R,4S)-N3-(cyclopropylmethyl)-N…
None
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) | 1.97 | 6.19 | -113.52 | 3 | 3 | 2 | 30 | 228.38 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.97 | 2.7 | -1.56 | 1 | 3 | 0 | 24 | 226.364 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.97 | 4.26 | -34.78 | 2 | 3 | 1 | 29 | 227.372 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.97 | 5.14 | -30.36 | 2 | 3 | 1 | 26 | 227.372 | 6 | ↓ |