In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 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) | 2.26 | 6.51 | -65.52 | 0 | 8 | -1 | 97 | 438.456 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.26 | 5.76 | -15.6 | 1 | 8 | 0 | 95 | 439.464 | 8 | ↓ |