UCSF

ZINC37307176

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 No

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) 4.67 7.34 -13.35 0 3 0 49 285.294 4
Mid Mid (pH 6-8) 3.48 10.18 -22.74 0 3 0 43 286.302 5

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

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