In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 18 | 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) | 1.87 | 5.82 | -86.81 | 4 | 3 | 2 | 35 | 255.45 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.87 | 3.91 | -41.29 | 3 | 3 | 1 | 34 | 254.442 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.87 | 8.1 | -190.74 | 5 | 3 | 3 | 37 | 256.458 | 6 | ↓ |