UCSF

ZINC65593536

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 25 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) -0.78 2.4 -62.36 0 9 -1 116 339.335 5
Mid Mid (pH 6-8) -0.96 4.96 -25.03 1 9 0 110 340.343 5
Mid Mid (pH 6-8) -0.96 4.88 -22.13 1 9 0 110 340.343 5

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

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