In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 20 | Yes |
Popular Name: (1R)-N-cycloheptyl-1-(3,5-dimethylphenyl)-N-methyl-ethane-1,2-diamine (1R)-N-cycloheptyl-1-(3,5-dimeth…
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) | 3.96 | 9.1 | -127.24 | 4 | 2 | 2 | 32 | 276.468 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.96 | 6.96 | -43.42 | 3 | 2 | 1 | 31 | 275.46 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.96 | 8.7 | -31.51 | 3 | 2 | 1 | 30 | 275.46 | 4 | ↓ |