UCSF

ZINC56895821

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2011 17 No

Popular Name: N-(4-azepan-1-ylphenyl)guanidine N-(4-azepan-1-ylphenyl)guanidine

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Other Names:

MFCD16653204

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Vendors

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) 2.26 6.31 -6.59 4 4 0 68 232.331 2 ↓
Mid Mid (pH 6-8) 2.39 6.88 -29.05 5 4 1 67 233.339 3 ↓
Lo Low (pH 4.5-6) 2.39 7.16 -82.52 6 4 2 68 234.347 3 ↓

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

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