In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 1st, 2009 | 32 | No |
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) | 3.51 | 9.65 | -53.9 | 1 | 6 | 1 | 56 | 439.507 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.51 | 6.73 | -9.37 | 0 | 6 | 0 | 55 | 438.499 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.51 | 8.95 | -47.18 | 1 | 6 | 1 | 56 | 439.507 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.51 | 11.98 | -128.78 | 2 | 6 | 2 | 58 | 440.515 | 5 | ↓ |