UCSF

ZINC67472662

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 29 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) 0.49 5.64 -23.65 2 9 0 113 389.419 3
Hi High (pH 8-9.5) 0.95 3.65 -55.88 1 9 -1 116 388.411 3
Lo Low (pH 4.5-6) 0.49 6.07 -41.02 3 9 1 114 390.427 3

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

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