UCSF

ZINC65552910

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 23 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) 1.95 9.05 -43.75 2 6 1 55 333.847 5
Hi High (pH 8-9.5) 1.95 7.67 -9.94 1 6 0 50 332.839 5
Lo Low (pH 4.5-6) 1.95 9.15 -97.68 3 6 2 56 334.855 5

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

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