UCSF

ZINC11536076

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2008 15 No

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) 1.50 6.78 -44.6 0 4 -1 66 211.237 4
Mid Mid (pH 6-8) 0.91 1.28 -11.09 0 4 0 60 212.245 4
Lo Low (pH 4.5-6) 1.50 5.43 -4.93 1 4 0 64 212.245 4

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

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