UCSF

ZINC64542944

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 21 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) 1.70 6.98 -15.59 0 5 0 51 284.363 3
Lo Low (pH 4.5-6) 1.70 7.44 -45.27 1 5 1 52 285.371 3

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

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