In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 17 | 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) | 4.04 | 7.22 | -31.26 | 2 | 2 | 1 | 16 | 239.427 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.04 | 4.89 | -0.31 | 1 | 2 | 0 | 15 | 238.419 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.04 | 8.39 | -110.7 | 3 | 2 | 2 | 21 | 240.435 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.04 | 6.06 | -36.81 | 2 | 2 | 1 | 20 | 239.427 | 4 | ↓ |