In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 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) | 0.52 | 3.15 | -66.7 | 1 | 10 | -1 | 131 | 446.432 | 11 | ↓ |
Lo Low (pH 4.5-6) | 0.52 | 2.26 | -21.4 | 2 | 10 | 0 | 128 | 447.44 | 11 | ↓ |