UCSF

ZINC01132109

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 34 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) 4.93 8.78 -55.93 0 7 -1 101 453.474 3
Lo Low (pH 4.5-6) 4.93 9.62 -55.87 1 7 0 103 454.482 3

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

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