In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 29th, 2008 | 31 | 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) | 4.25 | 10.21 | -68.88 | 2 | 5 | 1 | 53 | 439.511 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.25 | 8.75 | -15.6 | 1 | 5 | 0 | 52 | 438.503 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.70 | 9.98 | -41.48 | 1 | 5 | 0 | 57 | 438.503 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.25 | 12.6 | -52.03 | 2 | 5 | 1 | 53 | 439.511 | 4 | ↓ |