UCSF

ZINC19320309

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 24 No

Other Names:

MFCD03821066

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) 2.97 7.65 -39.95 2 4 1 41 324.448 3
Mid Mid (pH 6-8) 2.97 5.91 -7.21 1 4 0 39 323.44 3

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

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