UCSF

ZINC39500525

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 26 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) 2.56 3.49 -37.21 3 5 1 57 363.522 8
Hi High (pH 8-9.5) 2.56 1.39 -8.21 2 5 0 56 362.514 8
Mid Mid (pH 6-8) 2.56 3.65 -41.5 3 5 1 57 363.522 8

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

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