In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2008 | 18 | 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) | 4.49 | 8.41 | -120.47 | 4 | 2 | 2 | 32 | 256.478 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.49 | 6.3 | -40.22 | 3 | 2 | 1 | 31 | 255.47 | 7 | ↓ |