UCSF

ZINC48985777

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 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) 0.10 5.88 -45.36 2 6 1 55 263.369 5
Hi High (pH 8-9.5) 0.10 4.4 -9.01 1 6 0 51 262.361 5
Lo Low (pH 4.5-6) 0.10 6.01 -97.69 3 6 2 57 264.377 5

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

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