UCSF

ZINC69512152

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 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) 1.94 5.96 -16.54 1 5 0 53 300.387 5
Hi High (pH 8-9.5) 2.40 5.28 -46.18 0 5 -1 56 299.379 5
Lo Low (pH 4.5-6) 2.40 7.69 -48.62 1 5 0 58 300.387 5

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

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