In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 20 | No |
Popular Name: N,N-dimethyl-2-[4-[(4S)-thiazolidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide N,N-dimethyl-2-[4-[(4S)-thiazoli…
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) | -1.12 | 3.7 | -44.99 | 2 | 6 | 1 | 57 | 301.436 | 3 | ↓ |
Hi High (pH 8-9.5) | -1.12 | 1.94 | -12.97 | 1 | 6 | 0 | 56 | 300.428 | 3 | ↓ |
Mid Mid (pH 6-8) | -1.12 | 4.92 | -100.89 | 3 | 6 | 2 | 62 | 302.444 | 3 | ↓ |