UCSF

ZINC49534753

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2010 18 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) 0.99 2.79 -13.64 3 5 0 77 279.394 4
Lo Low (pH 4.5-6) 0.99 2.91 -35.91 4 5 1 78 280.402 4

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

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