In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 21 | Yes |
Popular Name: (1R)-1-(7-bromo-1,3-benzodioxol-5-yl)-N-methyl-N-(thiazol-4-ylmethyl)ethane-1,2-diamine (1R)-1-(7-bromo-1,3-benzodioxol-…
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) | 1.92 | 2.59 | -60.11 | 3 | 5 | 1 | 62 | 371.28 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.92 | 4.27 | -132.6 | 4 | 5 | 2 | 63 | 372.288 | 5 | ↓ |