In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 6th, 2004 | 29 | 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) | 5.83 | 12.25 | -12.47 | 0 | 4 | 0 | 63 | 408.567 | 7 | ↓ |
Lo Low (pH 4.5-6) | 5.83 | 12.45 | -49.95 | 1 | 4 | 1 | 64 | 409.575 | 7 | ↓ |