UCSF

ZINC61409364

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 19 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) -0.65 0.72 -57.22 4 7 1 95 269.325 3
Hi High (pH 8-9.5) -0.65 -0.6 -13.3 3 7 0 91 268.317 3

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

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