UCSF

ZINC54931550

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 14 Yes

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) 1.16 1.79 -36.33 2 3 1 29 199.318 6
Hi High (pH 8-9.5) 1.16 0.08 -2.01 1 3 0 24 198.31 6
Mid Mid (pH 6-8) 1.16 3.82 -105.22 3 3 2 30 200.326 6
Lo Low (pH 4.5-6) 1.16 2.42 -29.99 2 3 1 26 199.318 6

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

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