In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2011 | 20 | Yes |
Popular Name: (2S)-2-(cyclopropylamino)-5-isoindolin-2-yl-2-methyl-pentan-1-ol (2S)-2-(cyclopropylamino)-5-isoi…
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) | 1.82 | 6.58 | -93.24 | 4 | 3 | 2 | 41 | 276.424 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.82 | 4 | -32.89 | 3 | 3 | 1 | 40 | 275.416 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.