In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 20 | Yes |
Popular Name: N1-[(S)-(5-chloro-2-thienyl)-(2-thienyl)methyl]-N2,N2,2-trimethyl-propane-1,2-diamine N1-[(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) | 4.71 | 8.96 | -32.27 | 2 | 2 | 1 | 16 | 329.942 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.71 | 6.47 | -3 | 1 | 2 | 0 | 15 | 328.934 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.71 | 9.92 | -105.36 | 3 | 2 | 2 | 21 | 330.95 | 6 | ↓ |