In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 19 | 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) | 1.74 | 2.57 | -8.83 | 1 | 4 | 0 | 50 | 261.321 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.74 | 3.34 | -42.49 | 0 | 4 | -1 | 53 | 260.313 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.74 | 4.75 | -40.29 | 2 | 4 | 1 | 51 | 262.329 | 3 | ↓ |