UCSF

ZINC52883361

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 16 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) 2.51 7.01 -30.08 3 2 1 30 219.352 3
Hi High (pH 8-9.5) 2.51 5.16 -1.53 2 2 0 29 218.344 3
Lo Low (pH 4.5-6) 2.51 7.07 -116.97 4 2 2 32 220.36 3

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

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