In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 39 | Yes |
Popular Name: (2R)-N1-[(2-methoxyphenyl)methyl]-3-phenyl-N2-trityl-propane-1,2-diamine (2R)-N1-[(2-methoxyphenyl)methyl…
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) | 7.92 | 15.15 | -5.72 | 2 | 3 | 0 | 33 | 512.697 | 12 | ↓ |
Mid Mid (pH 6-8) | 7.92 | 15.75 | -41.41 | 3 | 3 | 1 | 38 | 513.705 | 12 | ↓ |
Lo Low (pH 4.5-6) | 7.92 | 16.63 | -114.41 | 4 | 3 | 2 | 42 | 514.713 | 12 | ↓ |