UCSF

ZINC60023711

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 29 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) 4.24 13.72 -59.83 2 6 0 82 399.535 9
Hi High (pH 8-9.5) 4.06 10.36 -32.52 2 6 0 79 399.535 10
Mid Mid (pH 6-8) 4.06 12.9 -66.77 3 6 1 80 400.543 10

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

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