UCSF

ZINC22363024

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 29 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) 5.41 14.25 -27.3 1 4 1 26 383.519 5
Mid Mid (pH 6-8) 3.28 7.89 -16.35 1 7 0 93 376.434 9

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

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