UCSF

ZINC67739555

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 23 Yes

Popular Name: (4S)-1-[(4-methyl-1H-imidazol-5-yl)methyl]spiro[azepane-4,2'-chromene] (4S)-1-[(4-methyl-1H-imidazol-5-…

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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) 2.96 11 -32.06 2 4 1 42 310.421 2 ↓
Hi High (pH 8-9.5) 2.96 9.25 -7.82 1 4 0 41 309.413 2 ↓
Mid Mid (pH 6-8) 2.96 11.35 -102.21 3 4 2 44 311.429 2 ↓
Mid Mid (pH 6-8) 2.96 9.59 -34.92 2 4 1 42 310.421 2 ↓

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

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