UCSF

ZINC61409667

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 20 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) -0.98 5.04 -91.29 4 7 2 85 279.344 4
Hi High (pH 8-9.5) -0.98 3.2 -12 2 7 0 79 277.328 4
Mid Mid (pH 6-8) -0.98 4.52 -58.27 3 7 1 84 278.336 4

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

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