In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 17 | Yes |
Popular Name: (1R,2S)-N1,N2-diethyl-N2-[[(2S)-tetrahydrofuran-2-yl]methyl]cyclopentane-1,2-diamine (1R,2S)-N1,N2-diethyl-N2-[[(2S)-…
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) | 2.14 | 7.55 | -99.24 | 3 | 3 | 2 | 30 | 242.407 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.14 | 6.05 | -1.13 | 1 | 3 | 0 | 24 | 240.391 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.14 | 5.9 | -31.91 | 2 | 3 | 1 | 29 | 241.399 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.14 | 7.06 | -26.46 | 2 | 3 | 1 | 26 | 241.399 | 6 | ↓ |