In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 19 | Yes |
Popular Name: (1S)-N'-[(1R)-1-cyclopropylethyl]-N,N-diethyl-1-phenyl-ethane-1,2-diamine (1S)-N'-[(1R)-1-cyclopropylethyl…
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) | 3.66 | 10.36 | -113.36 | 3 | 2 | 2 | 21 | 262.441 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.66 | 8.49 | -30.15 | 2 | 2 | 1 | 16 | 261.433 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.66 | 7.05 | -0.85 | 1 | 2 | 0 | 15 | 260.425 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.66 | 8.59 | -34.52 | 2 | 2 | 1 | 20 | 261.433 | 8 | ↓ |