In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 2010 | 27 | 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) | 3.10 | 10.87 | -13.89 | 2 | 7 | 0 | 89 | 381.823 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.29 | 9.03 | -50.11 | 1 | 7 | -1 | 95 | 380.815 | 4 | ↓ |