UCSF

ZINC66322780

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2011 10 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) 1.49 2.41 -30.55 0 3 -1 40 197.015 0
Mid Mid (pH 6-8) 1.49 2.92 -8.79 1 3 0 42 198.023 0

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

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