In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 16 | 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) | -0.15 | 2.58 | -53.44 | 4 | 5 | 1 | 73 | 221.284 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.15 | 2.18 | -11.21 | 3 | 5 | 0 | 71 | 220.276 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.15 | 2.71 | -90.63 | 5 | 5 | 2 | 74 | 222.292 | 3 | ↓ |