UCSF

ZINC36108627

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) -0.61 6.14 -40.32 3 8 1 100 450.515 7
Mid Mid (pH 6-8) 0.02 4.36 -25.08 2 8 0 106 449.507 6

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

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