UCSF

ZINC66140755

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 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) 3.76 5.73 -3.02 2 2 0 35 193.29 5
Lo Low (pH 4.5-6) 3.76 5.62 -36.16 3 2 1 37 194.298 5

Activity (Go SEA)

Rings

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