UCSF

ZINC20119778

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 30 Yes

Popular Name: 4-[(1R,2R)-1'-benzoyl-2-hydroxy-spiro[indane-3,4'-piperidine]-1-yl]piperazin-2-one 4-[(1R,2R)-1'-benzoyl-2-hydroxy-…

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) 1.60 6.55 -55.15 3 6 1 74 406.506 2 ↓
Hi High (pH 8-9.5) 1.60 4.67 -16.61 2 6 0 73 405.498 2 ↓

Activity (Go SEA)

Rings

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

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