In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 11th, 2010 | 23 | No |
Popular Name: (3S,4S)-N3,N4-dibenzyl-1,1-dioxo-thiolane-3,4-diamine (3S,4S)-N3,N4-dibenzyl-1,1-dioxo…
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) | 1.92 | 6.06 | -157.98 | 4 | 4 | 2 | 67 | 332.469 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.92 | 3.7 | -13.06 | 2 | 4 | 0 | 58 | 330.453 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.92 | 4.75 | -59.99 | 3 | 4 | 1 | 63 | 331.461 | 6 | ↓ |