In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2010 | 18 | Yes |
Popular Name: (3R)-N-[(4-amino-3-methyl-phenyl)methyl]-1-cyclopropyl-pyrrolidin-3-amine (3R)-N-[(4-amino-3-methyl-phenyl…
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) | 1.87 | 4.52 | -38.85 | 4 | 3 | 1 | 46 | 246.378 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.87 | 5.65 | -31.98 | 4 | 3 | 1 | 42 | 246.378 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.87 | 6.86 | -108.86 | 5 | 3 | 2 | 47 | 247.386 | 4 | ↓ |