In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 32 | 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) | 3.35 | 10.65 | -19.15 | 1 | 7 | 0 | 80 | 435.572 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.35 | 11.7 | -30.2 | 2 | 7 | 1 | 81 | 436.58 | 9 | ↓ |