UCSF

ZINC65531578

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 18 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) 1.02 3.63 -8.96 4 6 0 87 251.334 4
Lo Low (pH 4.5-6) 1.02 3.99 -25.91 5 6 1 89 252.342 4

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

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