In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 32 | 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) | 5.23 | 13.28 | -42.97 | 1 | 5 | 1 | 35 | 435.636 | 8 | ↓ |
Mid Mid (pH 6-8) | 5.23 | 13.99 | -86.8 | 2 | 5 | 2 | 36 | 436.644 | 8 | ↓ |
Mid Mid (pH 6-8) | 5.23 | 13.14 | -38.83 | 1 | 5 | 1 | 35 | 435.636 | 8 | ↓ |
Mid Mid (pH 6-8) | 5.23 | 10.9 | -10.7 | 0 | 5 | 0 | 34 | 434.628 | 8 | ↓ |