In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 38 | 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) | -4.24 | -4.41 | -57.54 | 10 | 15 | 1 | 237 | 541.63 | 12 | ↓ |
Hi High (pH 8-9.5) | -4.24 | -4.72 | -23.23 | 9 | 15 | 0 | 235 | 540.622 | 12 | ↓ |