UCSF

ZINC28649268

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 16 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) -4.83 -9.65 -56.91 6 9 -1 178 258.228 6
Mid Mid (pH 6-8) -4.99 -10.24 -82.08 6 9 0 172 259.236 7

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

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