UCSF

ZINC49534043

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2010 14 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) 0.01 5.83 -15.23 1 4 0 47 226.33 2
Mid Mid (pH 6-8) 0.74 5.97 -48.8 0 4 -1 44 225.322 2

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

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