UCSF

ZINC41652853

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 16 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) 2.95 5.94 -107.01 5 2 2 44 352.114 6
Hi High (pH 8-9.5) 2.95 4.79 -42.75 4 2 1 40 351.106 6

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Rings

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