In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2011 | 17 | 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 | 0.01 | -47.49 | 5 | 5 | 1 | 86 | 242.343 | 0 | ↓ |
Hi High (pH 8-9.5) | -0.15 | -0.31 | -10.15 | 4 | 5 | 0 | 84 | 241.335 | 0 | ↓ |