In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 21 | 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) | 4.27 | 10.3 | -33.34 | 2 | 2 | 1 | 16 | 305.873 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.27 | 8.05 | -1.31 | 1 | 2 | 0 | 15 | 304.865 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.27 | 11.2 | -115.21 | 3 | 2 | 2 | 21 | 306.881 | 4 | ↓ |