In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2009 | 19 | Yes |
Popular Name: (1S)-1-(4-bromophenyl)-N-cycloheptyl-N-methyl-ethane-1,2-diamine (1S)-1-(4-bromophenyl)-N-cyclohe…
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) | 3.95 | 7.95 | -136 | 4 | 2 | 2 | 32 | 327.31 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.95 | 8.48 | -33.57 | 3 | 2 | 1 | 30 | 326.302 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.95 | 6.32 | -48.2 | 3 | 2 | 1 | 31 | 326.302 | 4 | ↓ |