In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 37 | 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) | 4.21 | 10.27 | -59.76 | 1 | 9 | -1 | 136 | 521.933 | 10 | ↓ |
Lo Low (pH 4.5-6) | 4.21 | 9.52 | -17.64 | 2 | 9 | 0 | 133 | 522.941 | 10 | ↓ |