UCSF

ZINC23369132

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 28 Yes

Popular Name: (2R,3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]spiro[indane-1,4'-piperidine]-2-ol (2R,3R)-3-[4-(4-fluorophenyl)pip…

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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) 2.72 5.91 -55.35 3 4 1 43 382.503 2 ↓
Mid Mid (pH 6-8) 2.72 7.72 -116.91 4 4 2 45 383.511 2 ↓

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Rings

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

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