In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 30 | No |
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) | 3.08 | 7.15 | -12.92 | 0 | 6 | 0 | 65 | 400.434 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.08 | 10.28 | -127.88 | 2 | 6 | 2 | 67 | 402.45 | 4 | ↓ |