In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2008 | 32 | 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) | 1.71 | 9.41 | -48.81 | 2 | 7 | 0 | 103 | 440.471 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.71 | 8.48 | -56.02 | 1 | 7 | -1 | 99 | 439.463 | 6 | ↓ |