In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 31 | 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) | 1.19 | 5.46 | -49.51 | 4 | 10 | 1 | 121 | 429.501 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.19 | 2.99 | -15.13 | 3 | 10 | 0 | 120 | 428.493 | 8 | ↓ |