UCSF

ZINC53938437

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 21 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) 2.28 7.05 -35.77 2 3 1 20 355.344 6
Mid Mid (pH 6-8) 2.28 8.31 -95.72 3 3 2 24 356.352 6
Lo Low (pH 4.5-6) 2.28 9.47 -99.31 3 3 2 21 356.352 6

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

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