UCSF

ZINC60481250

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2011 20 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) 0.99 4.44 -36.67 2 6 1 69 276.316 4
Hi High (pH 8-9.5) 0.99 5.34 -54.4 0 6 -1 70 274.3 4
Mid Mid (pH 6-8) 0.99 4.36 -12.83 1 6 0 68 275.308 4

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

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