In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2009 | 31 | 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) | 2.14 | 10.96 | -18.07 | 1 | 9 | 0 | 103 | 412.457 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.21 | 9.16 | -43.99 | 0 | 9 | -1 | 110 | 411.449 | 4 | ↓ |