In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 30th, 2011 | 21 | 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) | 4.34 | 10.36 | -46.37 | 3 | 1 | 1 | 28 | 276.403 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.34 | 10.04 | -5.18 | 2 | 1 | 0 | 26 | 275.395 | 4 | ↓ |