UCSF

ZINC67515514

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 26 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) 0.00 8.47 -90.71 3 8 2 83 357.462 8
Hi High (pH 8-9.5) 0.00 5.93 -22.24 1 8 0 80 355.446 8
Mid Mid (pH 6-8) 0.00 8.01 -61.92 2 8 1 82 356.454 8
Mid Mid (pH 6-8) 0.00 6.4 -43.11 2 8 1 82 356.454 8

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

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