UCSF

ZINC62608363

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 3.06 7.88 -7.38 0 2 0 20 217.312 2
Lo Low (pH 4.5-6) 3.06 8.64 -20.08 1 2 0 22 218.32 2

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

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