UCSF

ZINC20264221

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 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) 0.46 0.85 -43.93 3 4 1 49 237.323 4
Lo Low (pH 4.5-6) 0.46 3.17 -119.29 4 4 2 51 238.331 4

Activity (Go SEA)

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