UCSF

ZINC37097008

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 1.76 4.65 -27.39 3 3 1 34 254.442 7
Hi High (pH 8-9.5) 1.76 4.71 -35.38 3 3 1 34 254.442 7
Mid Mid (pH 6-8) 1.76 6.89 -91.08 4 3 2 35 255.45 7
Mid Mid (pH 6-8) 1.76 5.03 -117.16 4 3 2 35 255.45 7

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

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