In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2010 | 16 | Yes |
Popular Name: (2R)-N1-methyl-N1-[(2-methylthiazol-4-yl)methyl]hexane-1,2-diamine (2R)-N1-methyl-N1-[(2-methylthia…
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) | 1.43 | 3.85 | -41.25 | 3 | 3 | 1 | 44 | 242.412 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.43 | 5.54 | -34.41 | 3 | 3 | 1 | 43 | 242.412 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.43 | 5.84 | -121.04 | 4 | 3 | 2 | 45 | 243.42 | 7 | ↓ |