In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 15 | Yes |
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) | 1.65 | 2.64 | -29.09 | 2 | 3 | 1 | 28 | 215.361 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.65 | 0.51 | -2.46 | 1 | 3 | 0 | 27 | 214.353 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.65 | 2.8 | -33.1 | 2 | 3 | 1 | 28 | 215.361 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.65 | 5 | -104.97 | 3 | 3 | 2 | 29 | 216.369 | 4 | ↓ |