In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 29 | 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) | 4.25 | 11.52 | -19.43 | 1 | 7 | 0 | 86 | 428.587 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.44 | 10.3 | -51.85 | 0 | 7 | -1 | 92 | 427.579 | 8 | ↓ |