UCSF

ZINC36872748

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 1.75 3.62 -42.42 4 3 1 57 241.742 5
Hi High (pH 8-9.5) 1.75 3.32 -5.96 3 3 0 55 240.734 5

Activity (Go SEA)

Rings

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