In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 15th, 2010 | 23 | 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) | 4.42 | 8.95 | -13.92 | 1 | 4 | 0 | 51 | 306.365 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.42 | 9.31 | -31.18 | 2 | 4 | 1 | 52 | 307.373 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.60 | 9.43 | -29.44 | 2 | 4 | 1 | 56 | 307.373 | 2 | ↓ |