In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 14 | Yes |
Popular Name: (1R)-1-cyclopropyl-N-methyl-N-(thiazol-4-ylmethyl)ethane-1,2-diamine (1R)-1-cyclopropyl-N-methyl-N-(t…
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) | 0.57 | 1.42 | -38.05 | 3 | 3 | 1 | 44 | 212.342 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.57 | 2.86 | -29.34 | 3 | 3 | 1 | 43 | 212.342 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.57 | 3.27 | -112.96 | 4 | 3 | 2 | 45 | 213.35 | 5 | ↓ |