UCSF

ZINC71575464

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 28 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) 1.45 5.5 -49.23 4 6 1 80 387.548 8
Mid Mid (pH 6-8) 1.45 5.56 -51.45 4 6 1 80 387.548 8
Lo Low (pH 4.5-6) 1.45 7.76 -120.63 5 6 2 81 388.556 8

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

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