UCSF

ZINC62978255

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 19 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) -0.36 0.45 -110.04 4 5 2 69 291.461 5
Hi High (pH 8-9.5) -0.36 -1.94 -10.23 2 5 0 67 289.445 5
Mid Mid (pH 6-8) -0.36 -1.66 -61.45 3 5 1 68 290.453 5

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

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