UCSF

ZINC35622630

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 27 Yes

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) 4.56 8.44 -10.08 2 6 0 72 380.835 4
Mid Mid (pH 6-8) 4.56 8.77 -35.97 3 6 1 73 381.843 4

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

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