| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 18 | Yes |
Popular Name: (1R)-N-isopentyl-N-methyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine (1R)-N-isopentyl-N-methyl-1-(4-m…
| 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) | 2.82 | 8.06 | -124.61 | 4 | 2 | 2 | 32 | 268.47 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.82 | 8.32 | -33.16 | 3 | 2 | 1 | 30 | 267.462 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.82 | 6.09 | -46.05 | 3 | 2 | 1 | 31 | 267.462 | 7 | ↓ |
