In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 15 | 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) | -0.20 | 5.62 | -113.6 | 4 | 2 | 2 | 32 | 204.317 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.20 | 2.98 | -2.35 | 2 | 2 | 0 | 29 | 202.301 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.20 | 3.28 | -43.66 | 3 | 2 | 1 | 31 | 203.309 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.20 | 5.32 | -31.26 | 3 | 2 | 1 | 30 | 203.309 | 2 | ↓ |