In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 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) | 0.69 | 8.76 | -51.62 | 3 | 3 | 1 | 45 | 264.352 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.69 | 8.42 | -6.36 | 2 | 3 | 0 | 44 | 263.344 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.69 | 9.24 | -121.43 | 4 | 3 | 2 | 47 | 265.36 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.69 | 9.23 | -32.48 | 3 | 3 | 1 | 45 | 264.352 | 4 | ↓ |