In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 18 | 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) | 0.07 | 1.87 | -47.83 | 3 | 8 | -1 | 131 | 255.254 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.53 | 0.2 | -87.75 | 2 | 8 | -2 | 134 | 254.246 | 8 | ↓ |
Lo Low (pH 4.5-6) | 0.07 | -0.11 | -10.93 | 4 | 8 | 0 | 128 | 256.262 | 8 | ↓ |