UCSF

ZINC50905990

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2010 19 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) 3.83 7.3 -38.11 2 4 1 42 283.465 7
Hi High (pH 8-9.5) 3.83 5.03 -6.17 1 4 0 41 282.457 7

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

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