UCSF

ZINC70308289

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 17 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) 2.19 5.52 -40.11 2 4 0 66 234.299 3
Hi High (pH 8-9.5) 2.19 5.06 -52.17 1 4 -1 65 233.291 3
Mid Mid (pH 6-8) 2.19 4.05 -9.27 2 4 0 62 234.299 3

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

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