In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2009 | 27 | 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) | 0.91 | 8.51 | -16.62 | 1 | 9 | 0 | 103 | 362.397 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.98 | 6.72 | -42.86 | 0 | 9 | -1 | 110 | 361.389 | 3 | ↓ |