UCSF

ZINC20268707

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 15 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) 0.16 0.78 -53.93 3 5 1 79 205.241 4
Lo Low (pH 4.5-6) 0.16 1.35 -90.79 4 5 2 81 206.249 4

Activity (Go SEA)

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