UCSF

ZINC69351420

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2011 24 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) 2.50 5.35 -45.96 2 5 1 48 333.452 7
Hi High (pH 8-9.5) 2.50 3.99 -6.59 1 5 0 43 332.444 7
Lo Low (pH 4.5-6) 2.50 7.77 -109.6 3 5 2 49 334.46 7
Lo Low (pH 4.5-6) 2.50 6.42 -39.86 2 5 1 44 333.452 7

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

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