UCSF

ZINC02045125

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 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) -3.63 2.43 -75.84 7 9 1 168 220.209 7
Hi High (pH 8-9.5) -3.63 2.11 -60.31 6 9 0 167 219.201 7

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

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