In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2006 | 27 | 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) | 3.90 | 10.12 | -20.71 | 1 | 6 | 0 | 68 | 360.417 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.90 | 10.29 | -52.2 | 2 | 6 | 1 | 70 | 361.425 | 5 | ↓ |