In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2011 | 21 | Yes |
Popular Name: (4R,5R)-4-amino-1-isobutyl-5-(1-methylindolin-5-yl)pyrrolidin-2-one (4R,5R)-4-amino-1-isobutyl-5-(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) | 1.43 | 6.88 | -54.46 | 3 | 4 | 1 | 51 | 288.415 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.43 | 6.59 | -7.9 | 2 | 4 | 0 | 50 | 287.407 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.43 | 7.47 | -109.77 | 4 | 4 | 2 | 52 | 289.423 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.