In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 18th, 2007 | 31 | 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) | 2.95 | 6.42 | -61.43 | 1 | 7 | -1 | 99 | 424.473 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.37 | -1.67 | -13.22 | 1 | 7 | 0 | 93 | 425.481 | 9 | ↓ |
Lo Low (pH 4.5-6) | 2.95 | 5.6 | -17.24 | 2 | 7 | 0 | 96 | 425.481 | 9 | ↓ |