In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2009 | 19 | Yes |
Popular Name: (1S)-1-(4-fluorophenyl)-N-methyl-N-[(5-methyl-2-furyl)methyl]ethane-1,2-diamine (1S)-1-(4-fluorophenyl)-N-methyl…
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) | 1.77 | 5.02 | -51.44 | 3 | 3 | 1 | 44 | 263.336 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.77 | 6.99 | -130.34 | 4 | 3 | 2 | 45 | 264.344 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.77 | 7.24 | -36.39 | 3 | 3 | 1 | 44 | 263.336 | 5 | ↓ |