UCSF

ZINC49236430

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 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) 1.99 9.4 -36.19 2 4 1 44 287.412 5
Hi High (pH 8-9.5) 1.99 9.39 -36.17 2 4 1 44 287.412 4
Mid Mid (pH 6-8) 1.99 9.93 -86.92 3 4 2 45 288.42 5

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

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