In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 15 | Yes |
Popular Name: (2R,3R)-N3-cycloheptyl-N2,N3-dimethyl-butane-2,3-diamine (2R,3R)-N3-cycloheptyl-N2,N3-dim…
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) | 3.20 | 6.55 | -104.89 | 3 | 2 | 2 | 21 | 214.397 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.20 | 5.36 | -35.54 | 2 | 2 | 1 | 20 | 213.389 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.20 | 5.29 | -30.18 | 2 | 2 | 1 | 16 | 213.389 | 4 | ↓ |