In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 27 | 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) | 1.79 | 5.26 | -45.77 | 1 | 7 | -1 | 97 | 383.405 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.79 | 6.17 | -101.11 | 0 | 7 | -2 | 99 | 382.397 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.33 | 6.34 | -15.01 | 2 | 7 | 0 | 94 | 384.413 | 4 | ↓ |