UCSF

ZINC49236796

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 15 No

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) 0.23 3.22 -5.31 1 5 0 72 208.217 3
Hi High (pH 8-9.5) 0.69 0.45 -36.9 0 5 -1 75 207.209 3

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

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