UCSF

ZINC55082589

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 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) 1.60 4.9 -40.55 2 4 1 40 268.425 3
Hi High (pH 8-9.5) 1.60 3.75 -5.71 1 4 0 36 267.417 3
Mid Mid (pH 6-8) 1.60 6.86 -101.29 3 4 2 41 269.433 3

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

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