UCSF

ZINC22466555

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 21 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) 2.14 6.07 -7.42 0 4 0 24 284.407 4
Mid Mid (pH 6-8) 2.14 8.46 -41.22 1 4 1 26 285.415 4
Mid Mid (pH 6-8) 2.14 8.45 -38.97 1 4 1 26 285.415 4
Lo Low (pH 4.5-6) 2.14 8.56 -85.71 2 4 2 27 286.423 4

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

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