In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2008 | 19 | 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) | 4.03 | 9.54 | -128.3 | 4 | 2 | 2 | 32 | 264.457 | 9 | ↓ |
Hi High (pH 8-9.5) | 4.03 | 7.76 | -48.73 | 3 | 2 | 1 | 31 | 263.449 | 9 | ↓ |
Hi High (pH 8-9.5) | 4.03 | 9.22 | -31.87 | 3 | 2 | 1 | 30 | 263.449 | 9 | ↓ |