UCSF

ZINC20610262

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 35 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) 3.88 5.98 -29.26 3 8 1 90 475.569 8
Lo Low (pH 4.5-6) 3.88 8.25 -83.83 4 8 2 91 476.577 8

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

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