UCSF

ZINC35252800

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 36 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) 5.63 11.86 -18.43 2 7 0 83 518.561 7
Mid Mid (pH 6-8) 5.63 12.28 -34.57 3 7 1 85 519.569 7

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

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