UCSF

ZINC50064706

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 21 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) 1.12 6.54 -47.74 1 7 1 78 309.371 5
Mid Mid (pH 6-8) 1.12 4.64 -20.67 0 7 0 77 308.363 5
Lo Low (pH 4.5-6) 1.12 5.06 -39.41 1 7 1 78 309.371 5

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

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