UCSF

ZINC49551636

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 30 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) 0.54 1.69 -17.1 3 9 0 126 426.351 6
Ref Reference (pH 7) 0.99 2.41 -41.28 2 9 -1 129 425.343 6

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

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