In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2008 | 25 | 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) | 4.75 | 7.46 | -8.73 | 3 | 4 | 0 | 68 | 361.417 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.75 | 7.7 | -36.86 | 4 | 4 | 1 | 69 | 362.425 | 3 | ↓ |