UCSF

ZINC44994885

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 16 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) 0.47 2.35 -41.02 2 5 1 55 225.316 3
Hi High (pH 8-9.5) 0.47 1.57 -43.03 2 5 1 59 225.316 3
Mid Mid (pH 6-8) 0.47 3.46 -107.36 3 5 2 60 226.324 3

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

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