In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 21 | Yes |
Popular Name: (2R)-N1-[(S)-(5-chloro-2-thienyl)-(2-furyl)methyl]-N2,N2,3-trimethyl-butane-1,2-diamine (2R)-N1-[(S)-(5-chloro-2-thienyl…
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) | 4.37 | 9.91 | -34.27 | 2 | 3 | 1 | 30 | 327.901 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.37 | 7.86 | -3.26 | 1 | 3 | 0 | 28 | 326.893 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.37 | 10.07 | -112.89 | 3 | 3 | 2 | 34 | 328.909 | 7 | ↓ |