UCSF

ZINC59514597

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2011 19 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) 1.94 3.79 -100.5 4 4 2 45 330.27 5
Hi High (pH 8-9.5) 1.94 1.42 -48.2 3 4 1 43 329.262 5
Hi High (pH 8-9.5) 1.94 2.18 -60.49 2 4 0 46 328.254 5

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

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