UCSF

ZINC57955307

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 16 No

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) -0.05 3.43 -56.55 3 4 1 65 239.32 3
Mid Mid (pH 6-8) -0.05 3.1 -8.62 2 4 0 63 238.312 3

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

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