UCSF

ZINC58554624

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 46 No

Popular Name: 15-[ethyl(methyl)dispiro[BLAH]carbonyl]oxypentadecanoic 15-[ethyl(methyl)dispiro[BLAH]ca…

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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) 8.85 21.27 -58.95 2 9 0 114 643.91 18 ↓
Hi High (pH 8-9.5) 8.85 20.39 -48.32 1 9 -1 113 642.902 18 ↓
Lo Low (pH 4.5-6) 8.85 19.29 -26.74 3 9 1 111 644.918 18 ↓

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Rings

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

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