In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 36 | No |
None
None
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) | 4.79 | 10.24 | -46.04 | 2 | 6 | 1 | 67 | 493.53 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.79 | 8.75 | -43.38 | 0 | 6 | -1 | 69 | 491.514 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.79 | 7.99 | -10.21 | 1 | 6 | 0 | 66 | 492.522 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.79 | 10.25 | -48.66 | 2 | 6 | 1 | 67 | 493.53 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.79 | 11.02 | -30.66 | 1 | 6 | 0 | 70 | 492.522 | 7 | ↓ |