In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 15th, 2006 | 21 | 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) | 4.83 | 12.01 | -93.57 | 2 | 2 | 2 | 9 | 292.511 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.83 | 10.87 | -25.73 | 1 | 2 | 1 | 8 | 291.503 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.83 | 11.04 | -28.21 | 1 | 2 | 1 | 8 | 291.503 | 3 | ↓ |