UCSF

ZINC53345447

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 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) 0.78 3.85 -43.03 2 5 1 45 285.437 8
Hi High (pH 8-9.5) 0.78 2.49 -5.62 1 5 0 41 284.429 8
Lo Low (pH 4.5-6) 0.78 4.29 -78.07 3 5 2 46 286.445 8

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

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