UCSF

ZINC13465672

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 25 Yes

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) 5.75 11.74 -26.92 1 3 1 32 364.519 4
Mid Mid (pH 6-8) 5.75 12.13 -89.15 2 3 2 33 365.527 4
Lo Low (pH 4.5-6) 5.75 12.79 -24.12 1 3 1 31 364.519 4

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

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