UCSF

ZINC49575413

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 21 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) 2.41 10.24 -88.04 1 5 0 62 287.363 4
Hi High (pH 8-9.5) 2.41 8.04 -54.88 0 5 -1 61 286.355 4
Lo Low (pH 4.5-6) 2.41 10.68 -115.37 2 5 1 64 288.371 4

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

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