In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2009 | 24 | 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) | 0.49 | 1.16 | -13.81 | 2 | 7 | 0 | 94 | 336.319 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.95 | -0.66 | -49.01 | 1 | 7 | -1 | 97 | 335.311 | 5 | ↓ |