In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 26 | 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) | 4.16 | 5.81 | -8.54 | 3 | 4 | 0 | 74 | 361.526 | 14 | ↓ |
Lo Low (pH 4.5-6) | 4.16 | 6.7 | -30.03 | 4 | 4 | 1 | 75 | 362.534 | 14 | ↓ |