UCSF

ZINC38600662

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 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) -1.15 -1.62 -45.74 6 7 1 112 264.309 3
Hi High (pH 8-9.5) -1.15 -4.16 -17.7 5 7 0 111 263.301 3

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

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