In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 18 | 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) | 0.72 | 5.79 | -47.54 | 0 | 5 | -1 | 64 | 253.322 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.72 | 7.95 | -70.48 | 1 | 5 | 0 | 65 | 254.33 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.72 | 5.98 | -43.12 | 2 | 5 | 1 | 62 | 255.338 | 6 | ↓ |