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) | 3.28 | 9.47 | -58.27 | 0 | 9 | -1 | 125 | 437.428 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.28 | 8.72 | -19.99 | 1 | 9 | 0 | 122 | 438.436 | 7 | ↓ |