UCSF

ZINC70094212

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2011 18 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) 1.17 2.05 -43.33 2 4 1 42 250.366 5
Lo Low (pH 4.5-6) 1.17 4.03 -103.37 3 4 2 43 251.374 5

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

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