In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 17th, 2011 | 30 | 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) | 4.76 | 9.61 | -19.11 | 2 | 4 | 0 | 58 | 410.602 | 2 | ↓ |
Hi High (pH 8-9.5) | 5.30 | 7.98 | -55.76 | 1 | 4 | -1 | 65 | 409.594 | 2 | ↓ |