In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2010 | 15 | Yes |
Popular Name: (3S)-N1,N1-dimethyl-N3-[(2-methylthiazol-4-yl)methyl]butane-1,3-diamine (3S)-N1,N1-dimethyl-N3-[(2-methy…
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) | 1.01 | 4.6 | -32.34 | 2 | 3 | 1 | 29 | 228.385 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.01 | 5.65 | -98.65 | 3 | 3 | 2 | 34 | 229.393 | 6 | ↓ |