UCSF

ZINC49549378

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 32 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) 0.65 7.01 -27.31 0 9 0 85 443.5 7
Lo Low (pH 4.5-6) 0.65 9.31 -70.96 1 9 1 86 444.508 7

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

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