In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 36 | No |
None
None
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) | 6.24 | 12.37 | -53.64 | 2 | 6 | 1 | 67 | 526.44 | 5 | ↓ |
Hi High (pH 8-9.5) | 6.24 | 10.92 | -38.53 | 0 | 6 | -1 | 69 | 524.424 | 5 | ↓ |
Mid Mid (pH 6-8) | 6.24 | 10.16 | -8.7 | 1 | 6 | 0 | 66 | 525.432 | 5 | ↓ |
Mid Mid (pH 6-8) | 6.24 | 13.14 | -31.27 | 1 | 6 | 0 | 70 | 525.432 | 5 | ↓ |