In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2008 | 20 | Yes |
Popular Name: (2R)-4-(2-tert-butylphenoxy)-N,N,2-trimethyl-butane-1,2-diamine (2R)-4-(2-tert-butylphenoxy)-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) | 3.19 | 5.73 | -45.56 | 3 | 3 | 1 | 40 | 279.448 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.19 | 7.25 | -32 | 3 | 3 | 1 | 40 | 279.448 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.19 | 7.72 | -117.71 | 4 | 3 | 2 | 41 | 280.456 | 7 | ↓ |