In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2010 | 19 | Yes |
Popular Name: 2-amino-4,5-dimethyl-1-[(1R)-1-methyl-2-morpholino-ethyl]pyrrole-3-carbonitrile 2-amino-4,5-dimethyl-1-[(1R)-1-m…
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) | 1.05 | 4.75 | -8.87 | 2 | 5 | 0 | 67 | 262.357 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.05 | 6.99 | -48.3 | 3 | 5 | 1 | 68 | 263.365 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.