UCSF

ZINC14008683

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 31 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) 6.21 12 -17.36 1 8 0 113 435.461 6
Mid Mid (pH 6-8) 5.72 11.51 -48.83 0 8 -1 112 434.453 7

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

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