UCSF

ZINC64549344

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 31 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) 1.50 3.83 -52.68 5 8 1 116 460.502 10
Hi High (pH 8-9.5) 1.50 2.73 -20.85 4 8 0 111 459.494 10

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

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