UCSF

ZINC66074606

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 27 No

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) 4.10 10.32 -12.19 2 5 0 75 380.879 5
Mid Mid (pH 6-8) 4.10 11.2 -41.74 3 5 1 76 381.887 5
Lo Low (pH 4.5-6) 4.10 11.3 -44.47 4 5 0 77 382.895 5

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

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