UCSF

ZINC62809741

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 12 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) 0.36 3.38 -87.31 3 3 2 30 172.272 4
Hi High (pH 8-9.5) 0.36 1.68 -31.01 2 3 1 26 171.264 4
Hi High (pH 8-9.5) 0.36 0.85 -36.08 2 3 1 29 171.264 4

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

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