In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2011 | 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) | 1.04 | 5.12 | -48.85 | 1 | 5 | -1 | 79 | 253.274 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.04 | 3.14 | -12.2 | 2 | 5 | 0 | 76 | 254.282 | 7 | ↓ |