In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2010 | 16 | No |
Popular Name: N-(cyclopropylmethyl)-N'-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-ethane-1,2-diamine N-(cyclopropylmethyl)-N'-[(3S)-1…
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) | 0.52 | 2.41 | -49.84 | 2 | 4 | 1 | 51 | 247.384 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.52 | 1.22 | -58.78 | 2 | 4 | 1 | 54 | 247.384 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.52 | 3.56 | -142.76 | 3 | 4 | 2 | 55 | 248.392 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.52 | 0.08 | -10.94 | 1 | 4 | 0 | 49 | 246.376 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.