UCSF

ZINC53374492

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 16 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) 1.73 4.7 -42.12 2 3 1 33 241.38 5
Hi High (pH 8-9.5) 1.73 3.52 -4.62 1 3 0 28 240.372 5
Lo Low (pH 4.5-6) 1.73 6.79 -122.3 3 3 2 34 242.388 5

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

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