In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2008 | 17 | 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) | -0.47 | -1.32 | -43.33 | 4 | 5 | 1 | 69 | 242.343 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.47 | -2.69 | -9.82 | 3 | 5 | 0 | 65 | 241.335 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.47 | 0.83 | -118.75 | 5 | 5 | 2 | 70 | 243.351 | 3 | ↓ |