UCSF

ZINC36127776

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 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) 0.89 3.49 -97.31 5 4 2 61 237.347 6
Hi High (pH 8-9.5) 0.89 3.09 -38.36 4 4 1 60 236.339 6

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Rings

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