In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2009 | 24 | Yes |
None
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) | 2.96 | 10.3 | -39.14 | 1 | 5 | 1 | 37 | 409.377 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.96 | 7.95 | -7.43 | 0 | 5 | 0 | 35 | 408.369 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.96 | 10.64 | -91.61 | 2 | 5 | 2 | 38 | 410.385 | 3 | ↓ |