UCSF

ZINC23012234

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 33 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) 3.94 9.09 -54.56 3 8 -1 111 458.523 5
Mid Mid (pH 6-8) 3.49 9.51 -26.01 4 8 0 108 459.531 5

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

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