UCSF

ZINC67458099

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 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) 1.96 6 -43.9 4 4 1 61 239.302 1
Hi High (pH 8-9.5) 1.96 5.07 -10.97 3 4 0 57 238.294 1
Lo Low (pH 4.5-6) 1.96 5.52 -32.04 4 4 1 58 239.302 1
Lo Low (pH 4.5-6) 1.96 6.47 -100.92 5 4 2 62 240.31 1

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

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