UCSF

ZINC67955425

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 29 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) 3.32 10.69 -13.98 1 5 0 62 386.451 1
Mid Mid (pH 6-8) 4.62 10.51 -50.13 0 5 -1 65 385.443 1

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

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