In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2009 | 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) | 2.82 | 7.7 | -36.85 | 3 | 2 | 1 | 30 | 263.449 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.82 | 5.8 | -41.12 | 3 | 2 | 1 | 31 | 263.449 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.82 | 8.02 | -110.81 | 4 | 2 | 2 | 32 | 264.457 | 3 | ↓ |