UCSF

ZINC41635666

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 2.72 4.49 -48.74 0 7 -1 79 361.447 4
Mid Mid (pH 6-8) 2.72 3.78 -7.73 1 7 0 76 362.455 4
Lo Low (pH 4.5-6) 2.72 6.05 -35.18 2 7 1 77 363.463 4
Lo Low (pH 4.5-6) 2.72 6.76 -34.62 1 7 0 80 362.455 4

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

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