UCSF

ZINC62789463

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 18 No

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) -0.18 1.83 -16.52 3 5 0 79 287.772 2
Lo Low (pH 4.5-6) -0.18 1.77 -54.74 4 5 1 81 288.78 2

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

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