In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 18 | Yes |
Popular Name: (1R,2R)-N1-(1-ethylpropyl)-1-(4-fluorophenyl)-N1-methyl-propane-1,2-diamine (1R,2R)-N1-(1-ethylpropyl)-1-(4-…
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) | 3.04 | 7.05 | -112.59 | 4 | 2 | 2 | 32 | 254.393 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.04 | 5.89 | -36.17 | 3 | 2 | 1 | 30 | 253.385 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.04 | 5.84 | -43.13 | 3 | 2 | 1 | 31 | 253.385 | 6 | ↓ |