In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2010 | 15 | Yes |
Popular Name: (2R)-N1,3-dimethyl-N1-[(2-methylthiazol-4-yl)methyl]butane-1,2-diamine (2R)-N1,3-dimethyl-N1-[(2-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) | 0.61 | 2.75 | -40.13 | 3 | 3 | 1 | 44 | 228.385 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.61 | 4.58 | -34.18 | 3 | 3 | 1 | 43 | 228.385 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.61 | 4.88 | -117.19 | 4 | 3 | 2 | 45 | 229.393 | 5 | ↓ |