UCSF

ZINC32786154

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 14 No

Popular Name: C12:1n-7 C12:1n-7

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CAS Number: 2430-94-6

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) 4.55 9.56 -43.47 0 2 -1 40 197.298 9 ↓
Lo Low (pH 4.5-6) 4.55 7.59 -5.44 1 2 0 37 198.306 9 ↓

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

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