In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 31 | 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) | 2.30 | 4.78 | -9.26 | 0 | 7 | 0 | 56 | 437.466 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.30 | 7.05 | -53.96 | 1 | 7 | 1 | 57 | 438.474 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.30 | 7.14 | -44.01 | 1 | 7 | 1 | 57 | 438.474 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.30 | 9.39 | -106.12 | 2 | 7 | 2 | 58 | 439.482 | 5 | ↓ |