In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2010 | 18 | Yes |
Popular Name: (1R)-N-cyclopropyl-N-isobutyl-1-(m-tolyl)ethane-1,2-diamine (1R)-N-cyclopropyl-N-isobutyl-1-…
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) | 2.64 | 8.1 | -120.49 | 4 | 2 | 2 | 32 | 248.414 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.64 | 6.32 | -44.39 | 3 | 2 | 1 | 31 | 247.406 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.64 | 7.49 | -27.36 | 3 | 2 | 1 | 30 | 247.406 | 6 | ↓ |