In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 13 | Yes |
Popular Name: (2S)-N1-methyl-N1-(thiazol-4-ylmethyl)butane-1,2-diamine (2S)-N1-methyl-N1-(thiazol-4-ylm…
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) | 0.65 | 1.65 | -41.97 | 3 | 3 | 1 | 44 | 200.331 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.65 | 3.53 | -119.52 | 4 | 3 | 2 | 45 | 201.339 | 5 | ↓ |