In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 21 | Yes |
Popular Name: 3-[[(3S)-3-amino-4-bromo-2-oxo-indolin-1-yl]methyl]benzonitrile 3-[[(3S)-3-amino-4-bromo-2-oxo-i…
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) | 0.55 | 6.76 | -13.53 | 2 | 4 | 0 | 70 | 342.196 | 2 | ↓ |
Lo Low (pH 4.5-6) | 0.55 | 7.06 | -42.83 | 3 | 4 | 1 | 72 | 343.204 | 2 | ↓ |