In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2010 | 16 | Yes |
Popular Name: (3S)-N3-(6-ethylpyrimidin-4-yl)-N1,N1-dimethyl-butane-1,3-diamine (3S)-N3-(6-ethylpyrimidin-4-yl)-…
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) | 1.64 | 7.3 | -40.1 | 2 | 4 | 1 | 42 | 223.344 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.64 | 7.67 | -80.99 | 3 | 4 | 2 | 43 | 224.352 | 6 | ↓ |