In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 5th, 2008 | 20 | 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) | 4.12 | 9.9 | -33.88 | 1 | 2 | 1 | 8 | 279.492 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.12 | 7.67 | -0.61 | 0 | 2 | 0 | 6 | 278.484 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.12 | 9.91 | -32.53 | 1 | 2 | 1 | 8 | 279.492 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.12 | 11.97 | -108.1 | 2 | 2 | 2 | 9 | 280.5 | 8 | ↓ |