UCSF

ZINC22931886

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 29 Yes

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 3.09 11.76 -42.73 1 5 1 39 398.571 10
Hi High (pH 8-9.5) 3.08 9.27 -8.06 0 5 0 38 397.563 10
Mid Mid (pH 6-8) 3.09 10 -44.84 1 5 1 39 398.571 10
Lo Low (pH 4.5-6) 3.09 11.27 -93.89 2 5 2 40 399.579 10

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

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