UCSF

ZINC61698308

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 16 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) 2.34 8.14 -49.75 2 3 1 34 281.177 3
Hi High (pH 8-9.5) 2.34 6.97 -5.65 1 3 0 30 280.169 3
Lo Low (pH 4.5-6) 2.34 8.34 -84.64 3 3 2 36 282.185 3

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

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