In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 8th, 2008 | 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) | 2.31 | 10 | -12.86 | 0 | 6 | 0 | 64 | 395.434 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.31 | 10.11 | -54.54 | 1 | 6 | 1 | 66 | 396.442 | 3 | ↓ |