In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 4th, 2010 | 28 | 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) | 1.76 | 7.92 | -37.42 | 1 | 10 | 0 | 120 | 396.436 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.94 | 6.6 | -57.28 | 0 | 10 | -1 | 127 | 395.428 | 4 | ↓ |