In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2008 | 24 | No |
Popular Name: (3Z)-3-[4-(4-pyridylmethyl)phenyl]iminoindolin-2-one (3Z)-3-[4-(4-pyridylmethyl)pheny…
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) | 3.91 | 7.82 | -12.4 | 1 | 4 | 0 | 58 | 313.36 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.37 | 6.05 | -50.66 | 0 | 4 | -1 | 61 | 312.352 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.37 | 5.56 | -54.74 | 0 | 4 | -1 | 61 | 312.352 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.91 | 7.93 | -46.3 | 2 | 4 | 1 | 59 | 314.368 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.91 | 8.28 | -38.8 | 2 | 4 | 1 | 59 | 314.368 | 3 | ↓ |