In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 18 | Yes |
Popular Name: (1R,2R)-N1-(cyclopropylmethyl)-N1-isopropyl-1-phenyl-propane-1,2-diamine (1R,2R)-N1-(cyclopropylmethyl)-N…
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) | 2.67 | 7.87 | -117.03 | 4 | 2 | 2 | 32 | 248.414 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.67 | 7.59 | -27.06 | 3 | 2 | 1 | 30 | 247.406 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.67 | 6.43 | -40.86 | 3 | 2 | 1 | 31 | 247.406 | 6 | ↓ |