UCSF

ZINC66123041

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 31 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) -1.10 -1.79 -50.46 5 10 -1 177 432.384 2
Hi High (pH 8-9.5) -1.10 -0.81 -97.86 4 10 -2 180 431.376 2
Mid Mid (pH 6-8) -1.10 0.27 -50.23 6 10 0 178 433.392 2

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

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