UCSF

ZINC70287456

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 20 No

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) 1.55 3.59 -46.6 2 7 1 88 284.336 5
Hi High (pH 8-9.5) 1.55 2.33 -10.35 1 7 0 83 283.328 5
Lo Low (pH 4.5-6) 1.55 6 -117.66 3 7 2 89 285.344 5

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

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