UCSF

ZINC19016795

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2008 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) 1.12 8.5 -13.32 0 5 0 59 322.412 3
Lo Low (pH 4.5-6) 1.12 8.78 -52.24 1 5 1 60 323.42 3

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

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