UCSF

ZINC44610922

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) -0.19 2.19 -45.91 2 5 1 67 278.423 7
Hi High (pH 8-9.5) -0.19 0.83 -10.9 1 5 0 62 277.415 7

Activity (Go SEA)

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