In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2009 | 27 | 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) | 3.14 | 7.71 | -11.48 | 1 | 4 | 0 | 42 | 382.529 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.14 | 10.1 | -53.83 | 2 | 4 | 1 | 43 | 383.537 | 5 | ↓ |