UCSF

ZINC62978306

Substance Information

In ZINC since Heavy atoms Benign functionality
May 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) 1.21 5.86 -174.75 5 4 3 40 299.527 6
Hi High (pH 8-9.5) 1.21 2.92 -33.59 3 4 1 37 297.511 6
Mid Mid (pH 6-8) 1.21 3.74 -105.12 4 4 2 39 298.519 6

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

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