UCSF

ZINC49545253

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 28 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) 0.21 4.31 -25.81 1 8 0 90 388.42 8
Lo Low (pH 4.5-6) 0.21 6.61 -68.27 2 8 1 91 389.428 8

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

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