UCSF

ZINC69049573

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 15 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 6.33 -38.74 2 2 1 29 199.277 3
Hi High (pH 8-9.5) 1.96 5.03 -5.18 1 2 0 25 198.269 3
Lo Low (pH 4.5-6) 1.96 6.79 -96.6 3 2 2 31 200.285 3

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

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