UCSF

ZINC23359133

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 27 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) 2.61 5.63 -38.97 2 4 1 31 382.519 6
Mid Mid (pH 6-8) 2.61 7.84 -113.78 3 4 2 32 383.527 6
Mid Mid (pH 6-8) 2.61 7.77 -95.75 3 4 2 32 383.527 6
Mid Mid (pH 6-8) 2.61 5.63 -44.66 2 4 1 31 382.519 6

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

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