UCSF

ZINC19920022

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 20 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) 4.42 8.85 -6.23 1 2 0 25 265.356 5
Lo Low (pH 4.5-6) 4.42 10.13 -43.74 2 2 1 30 266.364 5

Activity (Go SEA)

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