UCSF

ZINC49332276

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 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) 2.37 9.3 -104.05 3 2 2 21 252.377 7
Hi High (pH 8-9.5) 2.37 7.96 -33.94 2 2 1 16 251.369 7
Mid Mid (pH 6-8) 2.37 6.85 -40.47 2 2 1 20 251.369 7

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

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