UCSF

ZINC62461347

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2011 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) 1.72 5.43 -38.77 2 5 1 55 297.419 8
Mid Mid (pH 6-8) 1.72 3.92 -6.26 1 5 0 51 296.411 8
Mid Mid (pH 6-8) 1.72 7.67 -106.4 3 5 2 57 298.427 8
Mid Mid (pH 6-8) 1.72 6.15 -43.23 2 5 1 52 297.419 8

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

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