In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 25th, 2011 | 18 | 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) | 1.39 | 4.86 | -37.79 | 2 | 4 | 1 | 37 | 254.398 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.39 | 2.59 | -6.99 | 1 | 4 | 0 | 36 | 253.39 | 5 | ↓ |