In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 20 | 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) | 3.38 | 8.62 | -38.02 | 2 | 3 | 1 | 29 | 278.464 | 12 | ↓ |
Lo Low (pH 4.5-6) | 3.38 | 10.04 | -185.58 | 4 | 3 | 3 | 35 | 280.48 | 12 | ↓ |