UCSF

ZINC61378166

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) -0.73 3.03 -40.02 2 6 1 63 270.353 8
Hi High (pH 8-9.5) -0.73 0.61 -7.94 1 6 0 62 269.345 8
Mid Mid (pH 6-8) -0.73 1.86 -51.21 2 6 1 66 270.353 8

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

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