UCSF

ZINC20238586

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 29 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) 3.24 8.2 -45.15 0 7 -1 101 407.427 6
Mid Mid (pH 6-8) 2.79 9.97 -10.87 1 7 0 98 408.435 6

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

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