In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 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) | 3.56 | 9.18 | -25.5 | 1 | 7 | 0 | 75 | 409.467 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.56 | 9.62 | -40.24 | 2 | 7 | 1 | 76 | 410.475 | 5 | ↓ |