In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 6th, 2009 | 30 | 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) | 4.12 | 8.93 | -52.99 | 0 | 5 | -1 | 69 | 439.479 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.12 | 8.95 | -14.18 | 1 | 5 | 0 | 66 | 440.487 | 5 | ↓ |