In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 18 | Yes |
Popular Name: (2S)-1-isopropoxy-3-[propyl(2-thienylmethyl)amino]propan-2-ol (2S)-1-isopropoxy-3-[propyl(2-th…
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) | 2.60 | 6.45 | -35.17 | 2 | 3 | 1 | 34 | 272.434 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.60 | 4 | -5.82 | 1 | 3 | 0 | 33 | 271.426 | 9 | ↓ |