In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2008 | 35 | 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) | 3.90 | 12.65 | -15.19 | 0 | 7 | 0 | 63 | 495.624 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.90 | 14.99 | -54.68 | 1 | 7 | 1 | 65 | 496.632 | 10 | ↓ |