UCSF

ZINC65508581

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 25 Yes

Popular Name: (4S)-1-(2-methoxyethyl)-4-[(BLAHylamino)methyl]pyrrolidin-2-one (4S)-1-(2-methoxyethyl)-4-[(BLAH…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 0.88 4.46 -13.32 2 7 0 79 361.471 6 ↓
Lo Low (pH 4.5-6) 0.88 5.84 -59.48 3 7 1 84 362.479 6 ↓

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.