In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2006 | 16 | 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) | 3.02 | 6.27 | -8.47 | 1 | 3 | 0 | 42 | 220.316 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.02 | 6.55 | -34.63 | 2 | 3 | 1 | 43 | 221.324 | 6 | ↓ |