In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2009 | 18 | Yes |
Popular Name: (1S)-N-cyclopentyl-N-ethyl-1-(p-tolyl)ethane-1,2-diamine (1S)-N-cyclopentyl-N-ethyl-1-(p-…
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) | 2.95 | 7.68 | -118.63 | 4 | 2 | 2 | 32 | 248.414 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.95 | 7.32 | -27.22 | 3 | 2 | 1 | 30 | 247.406 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.95 | 6.08 | -42.69 | 3 | 2 | 1 | 31 | 247.406 | 5 | ↓ |