In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2005 | 27 | 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) | 5.32 | 8.91 | -32.05 | 2 | 5 | 1 | 54 | 361.421 | 5 | ↓ |
Hi High (pH 8-9.5) | 5.32 | 8.51 | -11.86 | 1 | 5 | 0 | 53 | 360.413 | 5 | ↓ |