UCSF

ZINC45298929

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 24 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) 3.27 7.93 -9.32 0 6 0 80 328.36 1
Lo Low (pH 4.5-6) 3.27 8.19 -35.92 1 6 1 82 329.368 1

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

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