UCSF

ZINC33817842

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 14 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) 0.91 1.91 -76.24 4 4 0 80 194.234 5
Lo Low (pH 4.5-6) 0.91 0.81 -48.7 5 4 1 77 195.242 5

Activity (Go SEA)

Rings

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