In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2004 | 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) | 3.43 | 11.86 | -12.53 | 1 | 7 | 0 | 78 | 407.268 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.61 | 12.07 | -51.04 | 2 | 7 | 1 | 83 | 408.276 | 6 | ↓ |