In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 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) | 4.06 | 5.21 | -4.19 | 2 | 4 | 0 | 57 | 252.358 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.06 | 5.46 | -23.5 | 3 | 4 | 1 | 59 | 253.366 | 7 | ↓ |