UCSF

ZINC41635914

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 3.23 4.4 -53.19 0 7 -1 79 387.466 4
Mid Mid (pH 6-8) 3.23 3.69 -9.67 1 7 0 76 388.474 4
Lo Low (pH 4.5-6) 3.23 5.93 -38.41 2 7 1 77 389.482 4
Lo Low (pH 4.5-6) 3.23 6.64 -40.3 1 7 0 80 388.474 4

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

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