In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 30th, 2010 | 13 | 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) | -0.55 | 0.17 | -36.53 | 4 | 4 | 1 | 60 | 188.295 | 7 | ↓ |
Hi High (pH 8-9.5) | -0.55 | -2.11 | -7.61 | 3 | 4 | 0 | 58 | 187.287 | 7 | ↓ |
Mid Mid (pH 6-8) | -0.55 | -0.91 | -44.47 | 4 | 4 | 1 | 63 | 188.295 | 7 | ↓ |
Mid Mid (pH 6-8) | -0.55 | 1.52 | -113.99 | 5 | 4 | 2 | 64 | 189.303 | 7 | ↓ |