UCSF

ZINC67447075

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 21 Yes

Popular Name: (3-chloro-4-hydroxy-phenyl)-[(5R)-3-methyl-3,7-diazaspiro[4.5]decan-7-yl]methanone (3-chloro-4-hydroxy-phenyl)-[(5R…

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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) 1.93 6.29 -36.78 2 4 1 45 309.817 1 ↓
Hi High (pH 8-9.5) 1.93 7.06 -58 1 4 0 48 308.809 1 ↓

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

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