UCSF

ZINC64976509

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2011 25 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) 1.70 0.76 -15.96 3 8 0 113 361.379 3
Hi High (pH 8-9.5) 1.67 1.58 -40.39 2 8 1 112 360.371 3
Hi High (pH 8-9.5) 1.70 1.18 -44.44 2 8 -1 115 360.371 3

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

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