UCSF

ZINC22779301

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 23 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) 0.70 2.78 -48.45 0 10 -1 124 343.389 5
Mid Mid (pH 6-8) 0.70 1.51 -35.82 1 10 0 125 344.397 5
Lo Low (pH 4.5-6) 1.07 3.18 -19.26 1 10 0 118 344.397 4

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

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