UCSF

ZINC55064059

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 19 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) 0.59 4.1 -99.87 4 4 2 48 264.417 5
Hi High (pH 8-9.5) 0.59 2.13 -47.1 3 4 1 47 263.409 5
Hi High (pH 8-9.5) 0.59 2.29 -3.9 2 4 0 45 262.401 5
Lo Low (pH 4.5-6) 0.59 4.56 -178.54 5 4 3 49 265.425 5

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

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