UCSF

ZINC71539155

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.33 11.08 -110.21 3 6 0 55 367.497 7
Hi High (pH 8-9.5) 3.33 8.41 -11.09 1 6 0 53 365.481 7
Mid Mid (pH 6-8) 3.33 8.48 -31.74 2 6 0 54 366.489 7
Mid Mid (pH 6-8) 3.33 10.86 -37.57 2 6 1 54 366.489 7

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

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