In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 23rd, 2010 | 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) | -3.91 | 1.35 | -105.61 | 5 | 7 | 1 | 122 | 242.255 | 4 | ↓ |
Hi High (pH 8-9.5) | -3.91 | -0.08 | -67.16 | 4 | 7 | 0 | 117 | 241.247 | 4 | ↓ |