In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 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) | 3.11 | 5.89 | -12.81 | 2 | 6 | 0 | 80 | 403.36 | 4 | ↓ |
Ref Reference (pH 7) | 2.93 | 8.53 | -12.85 | 2 | 6 | 0 | 76 | 403.36 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.93 | 8.99 | -47.1 | 3 | 6 | 1 | 78 | 404.368 | 4 | ↓ |