UCSF

ZINC69795472

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 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) -0.14 6.04 -41.73 1 6 0 83 225.248 6
Hi High (pH 8-9.5) -0.14 4.11 -50.23 0 6 -1 82 224.24 6

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

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