UCSF

ZINC14982697

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 12 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) -0.06 -2.89 -99.23 0 6 -2 98 162.108 0
Mid Mid (pH 6-8) -0.52 -1.79 -51.39 1 6 -1 95 163.116 0
Lo Low (pH 4.5-6) -0.98 -0.67 -20.33 2 6 0 92 164.124 0

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

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