In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2010 | 21 | Yes |
Popular Name: 2-(3-aminoprop-1-ynyl)-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)benzamide 2-(3-aminoprop-1-ynyl)-N-(5,6-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) | 1.81 | 6.54 | -43.04 | 4 | 4 | 1 | 70 | 298.391 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.73 | 5.55 | -14.49 | 3 | 4 | 0 | 71 | 297.383 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.