UCSF

ZINC67948102

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 20 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) 2.49 6.64 -37.02 5 4 1 76 266.324 3
Hi High (pH 8-9.5) 2.49 6.18 -11.02 4 4 0 75 265.316 3

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

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