UCSF

ZINC67513588

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 26 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) 0.26 4.1 -22.03 2 7 0 99 356.426 3
Hi High (pH 8-9.5) 0.71 1.89 -60.25 1 7 -1 102 355.418 3
Lo Low (pH 4.5-6) 0.26 4.61 -43.13 3 7 1 100 357.434 3

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

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