UCSF

ZINC68848394

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2011 17 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) 3.38 7.85 -43.29 2 1 1 17 242.333 5
Hi High (pH 8-9.5) 3.38 6.61 -1.39 1 1 0 12 241.325 5

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Rings

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