In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 25 | 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) | 2.21 | 8.89 | -36.15 | 2 | 5 | 1 | 53 | 343.495 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.21 | 7.64 | -8.44 | 1 | 5 | 0 | 48 | 342.487 | 2 | ↓ |