In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 32 | No |
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) | 3.00 | 10.38 | -79.78 | 1 | 7 | 0 | 83 | 501.377 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.00 | 9.56 | -57.95 | 2 | 7 | 1 | 81 | 502.385 | 7 | ↓ |