UCSF

ZINC36126909

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 23 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) 1.58 3.07 -18.39 1 7 0 100 351.409 1
Hi High (pH 8-9.5) 3.16 1.96 -54.76 1 7 -1 106 350.401 1
Mid Mid (pH 6-8) 1.98 3.61 -58.49 1 7 -1 106 350.401 1

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

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