In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 10th, 2009 | 32 | 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) | 4.26 | 7.59 | -45.7 | 3 | 7 | 1 | 88 | 456.588 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.26 | 9.29 | -69.11 | 2 | 7 | 0 | 90 | 455.58 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.26 | 8.11 | -51.81 | 1 | 7 | -1 | 86 | 454.572 | 6 | ↓ |