In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 18 | Yes |
Popular Name: (2S)-N2-ethyl-2-methyl-4-phenyl-N2-propyl-butane-1,2-diamine (2S)-N2-ethyl-2-methyl-4-phenyl-…
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) | 3.16 | 6.39 | -43.87 | 3 | 2 | 1 | 31 | 249.422 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.16 | 7.77 | -30.88 | 3 | 2 | 1 | 30 | 249.422 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.16 | 8.09 | -120.77 | 4 | 2 | 2 | 32 | 250.43 | 8 | ↓ |