In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2011 | 40 | 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) | -1.52 | 3.79 | -338.63 | 25 | 17 | 5 | 337 | 558.676 | 14 | ↓ |
Hi High (pH 8-9.5) | -1.65 | 3.46 | -230.95 | 24 | 17 | 4 | 337 | 557.668 | 13 | ↓ |