In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2009 | 19 | Yes |
Popular Name: (1S)-N-cycloheptyl-N-methyl-1-(m-tolyl)ethane-1,2-diamine (1S)-N-cycloheptyl-N-methyl-1-(m…
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) | 3.56 | 7.99 | -129.25 | 4 | 2 | 2 | 32 | 262.441 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.56 | 6.33 | -44.7 | 3 | 2 | 1 | 31 | 261.433 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.56 | 8.52 | -29.53 | 3 | 2 | 1 | 30 | 261.433 | 4 | ↓ |