In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2009 | 28 | 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) | 1.15 | 7.29 | -56.59 | 2 | 7 | 1 | 76 | 386.472 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.15 | 5.2 | -21.15 | 1 | 7 | 0 | 75 | 385.464 | 7 | ↓ |