UCSF

ZINC35189767

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 7 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) 0.20 -0.3 -35 4 2 1 43 99.157 0
Hi High (pH 8-9.5) 0.20 -1.73 -1.81 3 2 0 38 98.149 0
Lo Low (pH 4.5-6) 0.20 -0.01 -107.57 5 2 2 44 100.165 0

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

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