In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2008 | 17 | Yes |
Popular Name: (2R)-4-(2,4-dimethylphenoxy)-N,N-dimethyl-butane-1,2-diamine (2R)-4-(2,4-dimethylphenoxy)-N,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) | 1.91 | 4.13 | -43.59 | 3 | 3 | 1 | 40 | 237.367 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.91 | 6.12 | -34.79 | 3 | 3 | 1 | 40 | 237.367 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.91 | 6.13 | -127.36 | 4 | 3 | 2 | 41 | 238.375 | 6 | ↓ |