UCSF

ZINC69796528

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 15 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) -1.06 -0.68 -43.19 3 5 1 58 211.289 2
Hi High (pH 8-9.5) -1.06 -1.14 -6.48 2 5 0 56 210.281 2
Lo Low (pH 4.5-6) -1.06 1.59 -100.87 4 5 2 59 212.297 2

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

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