UCSF

ZINC70288228

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 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) 0.95 2.53 -44.37 3 5 1 59 293.387 4
Hi High (pH 8-9.5) 0.95 2.16 -5.38 2 5 0 57 292.379 4
Lo Low (pH 4.5-6) 0.95 4.16 -111.07 4 5 2 60 294.395 4

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

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