In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 7th, 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) | 3.99 | 9.74 | -14.52 | 0 | 6 | 0 | 69 | 378.457 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.99 | 10.04 | -54.96 | 1 | 6 | 1 | 71 | 379.465 | 6 | ↓ |