In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 15 | 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) | -0.55 | -0.08 | -91.91 | 5 | 4 | 2 | 56 | 217.357 | 7 | ↓ |
Hi High (pH 8-9.5) | -0.55 | -2.32 | -43.95 | 4 | 4 | 1 | 54 | 216.349 | 7 | ↓ |