In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2009 | 18 | 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) | 1.81 | 3.1 | -44.9 | 4 | 4 | 1 | 60 | 360.219 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.81 | 5.27 | -109.18 | 5 | 4 | 2 | 61 | 361.227 | 3 | ↓ |