In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2009 | 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) | 3.20 | 15.26 | -95.63 | 2 | 6 | 2 | 61 | 404.551 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.20 | 13.2 | -36.98 | 1 | 6 | 1 | 60 | 403.543 | 10 | ↓ |