UCSF

ZINC50064930

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 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) 0.21 3.34 -18.51 1 6 0 80 267.281 5
Hi High (pH 8-9.5) 0.21 4.21 -59.49 0 6 -1 83 266.273 5
Lo Low (pH 4.5-6) 0.21 5.23 -52.33 2 6 1 81 268.289 5

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

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