UCSF

ZINC19729474

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 17 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) 2.02 3.13 -40.67 3 5 0 80 231.303 3
Hi High (pH 8-9.5) 2.02 2.8 -36.34 2 5 -1 79 230.295 3
Lo Low (pH 4.5-6) 2.02 3.25 -54.93 4 5 1 82 232.311 3

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

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