In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 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) | 2.90 | 10.18 | -113.56 | 3 | 3 | 2 | 25 | 285.435 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.90 | 5.37 | -5.04 | 1 | 3 | 0 | 22 | 283.419 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.90 | 7.96 | -37.66 | 2 | 3 | 1 | 23 | 284.427 | 3 | ↓ |