UCSF

ZINC15936963

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 33 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) 4.62 6.94 -36.82 3 8 1 112 464.523 6
Hi High (pH 8-9.5) 4.62 7.68 -25.8 2 8 0 114 463.515 6
Hi High (pH 8-9.5) 4.62 6.87 -29.08 2 8 0 114 463.515 6

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

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