In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 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) | 3.18 | 5.82 | -45.63 | 3 | 2 | 1 | 31 | 279.473 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.18 | 7.23 | -26.64 | 3 | 2 | 1 | 30 | 279.473 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.18 | 7.6 | -124.4 | 4 | 2 | 2 | 32 | 280.481 | 3 | ↓ |