UCSF

ZINC37101747

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 3.57 3.96 -9.13 2 4 0 58 288.388 8
Hi High (pH 8-9.5) 3.57 4.16 -44.85 1 4 -1 60 287.38 8

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Rings

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