UCSF

ZINC37596841

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2009 17 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) -1.38 1.56 -46.63 1 6 -1 90 239.251 4
Hi High (pH 8-9.5) -1.38 3.03 -36.05 2 6 0 91 240.259 4
Mid Mid (pH 6-8) -1.19 1.65 -75.67 1 6 -1 97 239.251 4

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

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