In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2009 | 16 | No |
Popular Name: 1-(5-chloro-2-thienyl)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]methanamine 1-(5-chloro-2-thienyl)-N-[[(3S)-…
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) | 2.10 | 3.68 | -67.44 | 2 | 3 | 1 | 51 | 280.822 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.10 | 2.32 | -13.4 | 1 | 3 | 0 | 46 | 279.814 | 4 | ↓ |