In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2008 | 30 | No |
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) | 2.84 | 7.26 | -17.83 | 2 | 7 | 0 | 93 | 423.494 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.18 | 7.24 | -41.63 | 2 | 7 | -1 | 99 | 422.486 | 4 | ↓ |