UCSF

ZINC70117378

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 20 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) 4.34 7.78 -5.25 1 1 0 12 261.368 2
Lo Low (pH 4.5-6) 4.34 8.88 -33.54 2 1 1 17 262.376 2

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

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