In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 15th, 2010 | 18 | Yes |
Popular Name: (4S)-1-cyclopropyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one (4S)-1-cyclopropyl-4-(4-methylpi…
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) | -0.23 | 3.21 | -14 | 0 | 5 | 0 | 44 | 251.33 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.23 | 5.56 | -51.15 | 1 | 5 | 1 | 45 | 252.338 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.