UCSF

ZINC52576132

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 18 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) 1.35 6.47 -105.69 4 4 2 60 243.31 3
Hi High (pH 8-9.5) 1.35 5.59 -10.78 2 4 0 57 241.294 3
Mid Mid (pH 6-8) 1.35 5.99 -61.65 3 4 1 59 242.302 3

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

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