UCSF

ZINC70286919

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2011 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) -1.37 3.75 -26.72 3 3 1 45 166.248 2
Hi High (pH 8-9.5) -1.37 3.16 -6.88 2 3 0 44 165.24 2
Mid Mid (pH 6-8) -1.37 4.06 -107.16 4 3 2 47 167.256 2
Mid Mid (pH 6-8) -1.37 3.48 -41.65 3 3 1 45 166.248 2

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

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