In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 20 | 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) | 1.67 | 6.88 | -12.59 | 1 | 4 | 0 | 58 | 267.332 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.67 | 7.34 | -43.21 | 2 | 4 | 1 | 59 | 268.34 | 7 | ↓ |