In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 21 | No |
Popular Name: 2-[butyl-(3-carbamothioyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]acetamide 2-[butyl-(3-carbamothioyl-6,7-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) | 1.94 | 4.55 | -14.97 | 4 | 5 | 0 | 85 | 306.435 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.94 | 5.05 | -29.22 | 5 | 5 | 1 | 86 | 307.443 | 7 | ↓ |