UCSF

ZINC55070854

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 21 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) 1.89 7.2 -34.75 2 5 1 46 298.451 8
Hi High (pH 8-9.5) 1.89 5.31 -3.36 1 5 0 45 297.443 8
Mid Mid (pH 6-8) 1.89 7.13 -85.41 3 5 2 51 299.459 8

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

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