In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 2010 | 19 | Yes |
Popular Name: (3-amino-2-thienyl)-[(1S)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (3-amino-2-thienyl)-[(1S)-1,6-di…
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) | 1.95 | 5.38 | -8.77 | 2 | 4 | 0 | 51 | 275.377 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.95 | 5.26 | -37.36 | 3 | 4 | 1 | 53 | 276.385 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.