In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2009 | 15 | Yes |
Popular Name: (2R,3S)-N2-cyclopentyl-N2-ethyl-3-methyl-pentane-1,2-diamine (2R,3S)-N2-cyclopentyl-N2-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) | 2.53 | 6.26 | -115.27 | 4 | 2 | 2 | 32 | 214.397 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.53 | 4.08 | -41.4 | 3 | 2 | 1 | 31 | 213.389 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.53 | 6.01 | -26.23 | 3 | 2 | 1 | 30 | 213.389 | 6 | ↓ |