UCSF

ZINC42450281

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 21 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) 1.60 5.8 -45.65 4 5 1 83 330.239 6
Hi High (pH 8-9.5) 1.60 4.01 -10.96 3 5 0 82 329.231 6

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Rings

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