In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 20 | 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) | 0.15 | 1.17 | -53.77 | 3 | 7 | -1 | 129 | 299.328 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.15 | 1.24 | -98.38 | 2 | 7 | -2 | 131 | 298.32 | 7 | ↓ |