In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2011 | 16 | No |
Popular Name: (3aS,7aR)-2-(2-amino-1,1-dimethyl-ethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione (3aS,7aR)-2-(2-amino-1,1-dimethy…
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) | 0.12 | 3.21 | -43.4 | 3 | 4 | 1 | 65 | 223.296 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.12 | 3.37 | -4.67 | 2 | 4 | 0 | 63 | 222.288 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.12 | 3.4 | -5.56 | 2 | 4 | 0 | 63 | 222.288 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.12 | 3.05 | -4.88 | 2 | 4 | 0 | 63 | 222.288 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.