UCSF

ZINC75629365

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2012 25 No

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) 2.58 5.43 -10.03 3 5 0 77 357.479 7
Lo Low (pH 4.5-6) 2.58 5.74 -54.63 4 5 1 79 358.487 7
Lo Low (pH 4.5-6) 2.58 6.1 -90.51 5 5 2 80 359.495 7

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

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