UCSF

ZINC05854838

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 22 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) 2.48 5.32 -54.41 0 5 -1 82 316.358 5
Mid Mid (pH 6-8) 2.48 5.25 -23 1 5 0 80 317.366 5

Activity (Go SEA)

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