UCSF

ZINC69516509

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 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) 0.96 7.3 -31.8 1 4 1 35 275.401 3
Hi High (pH 8-9.5) 0.96 6.83 -11.6 0 4 0 34 274.393 3
Lo Low (pH 4.5-6) 0.96 9.53 -99.79 2 4 2 36 276.409 3

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

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