In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2010 | 25 | Yes |
None
None
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) | 3.04 | 8.11 | -14.13 | 1 | 7 | 0 | 89 | 376.511 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.50 | 5.22 | -46.91 | 0 | 7 | -1 | 92 | 375.503 | 5 | ↓ |