UCSF

ZINC59817085

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 26 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) 4.73 13.07 -40.06 2 2 1 25 346.494 7
Hi High (pH 8-9.5) 4.73 11.28 -4.08 1 2 0 23 345.486 7

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

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