In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 21 | No |
Popular Name: (2S)-1-(3-carbamothioyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)piperidine-2-carboxamide (2S)-1-(3-carbamothioyl-6,7-dihy…
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) | 1.96 | 3.75 | -14.14 | 4 | 5 | 0 | 85 | 304.419 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.96 | 4.19 | -27.5 | 5 | 5 | 1 | 86 | 305.427 | 3 | ↓ |