UCSF

ZINC44647719

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 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) 0.66 2.08 -49.26 5 5 1 89 250.322 7
Hi High (pH 8-9.5) 0.66 0.73 -14.01 4 5 0 84 249.314 7

Activity (Go SEA)

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