UCSF

ZINC61698301

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 17 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) 2.58 8.92 -48.39 2 3 1 34 250.753 4
Hi High (pH 8-9.5) 2.58 7.82 -5.73 1 3 0 30 249.745 4
Lo Low (pH 4.5-6) 2.58 9.17 -83.94 3 3 2 36 251.761 4

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

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