In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 20 | Yes |
Popular Name: (1R)-1-(4-tert-butylphenyl)-N-[(1S)-1,2-dimethylpropyl]-N-methyl-ethane-1,2-diamine (1R)-1-(4-tert-butylphenyl)-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) | 3.89 | 8.62 | -123.98 | 4 | 2 | 2 | 32 | 278.484 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.89 | 8.28 | -28.59 | 3 | 2 | 1 | 30 | 277.476 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.89 | 7.56 | -41.95 | 3 | 2 | 1 | 31 | 277.476 | 6 | ↓ |