In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 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) | 0.70 | 3.59 | -43.17 | 3 | 4 | 1 | 51 | 262.377 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.70 | 3.27 | -6.92 | 2 | 4 | 0 | 50 | 261.369 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.70 | 5.81 | -102.41 | 4 | 4 | 2 | 52 | 263.385 | 4 | ↓ |