UCSF

ZINC22925106

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 12 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) -2.12 -0.98 -44.32 4 5 1 63 173.24 1
Mid Mid (pH 6-8) -2.12 -3.36 -8.38 3 5 0 62 172.232 1

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

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