In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 18 | Yes |
Popular Name: N'-[(S)-(5-chloro-2-thienyl)-(2-furyl)methyl]-N,N-dimethyl-ethane-1,2-diamine N'-[(S)-(5-chloro-2-thienyl)-(2-…
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) | 3.26 | 6.82 | -37.43 | 2 | 3 | 1 | 30 | 285.82 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.26 | 4.33 | -4.19 | 1 | 3 | 0 | 28 | 284.812 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.26 | 8.01 | -112.11 | 3 | 3 | 2 | 34 | 286.828 | 6 | ↓ |