In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 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) | 3.77 | 8.08 | -106.93 | 4 | 2 | 2 | 32 | 242.451 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.77 | 7.7 | -32.46 | 3 | 2 | 1 | 30 | 241.443 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.77 | 6.12 | -41.22 | 3 | 2 | 1 | 31 | 241.443 | 9 | ↓ |