In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 14 | 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) | -0.16 | 3.18 | -114.15 | 4 | 3 | 2 | 45 | 193.294 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.16 | 0.93 | -41.82 | 3 | 3 | 1 | 44 | 192.286 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.16 | 1.39 | -96.85 | 4 | 3 | 2 | 45 | 193.294 | 3 | ↓ |