UCSF

ZINC53445812

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 18 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) 1.80 5.49 -37.8 2 3 1 29 269.434 10
Hi High (pH 8-9.5) 1.80 4.13 -2.64 1 3 0 24 268.426 10
Lo Low (pH 4.5-6) 1.80 7.55 -110.93 3 3 2 30 270.442 10

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

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