In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 7th, 2007 | 17 | No |
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) | -0.97 | 1.24 | -22.97 | 2 | 7 | 0 | 93 | 254.271 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.52 | 0.14 | -47.69 | 1 | 7 | -1 | 96 | 253.263 | 2 | ↓ |