In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 20 | 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) | 3.36 | 7.03 | -15.38 | 2 | 4 | 0 | 61 | 291.42 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.36 | 7.49 | -28.01 | 3 | 4 | 1 | 62 | 292.428 | 8 | ↓ |