UCSF

ZINC13426592

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 25 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) 3.74 8.26 -7.52 0 7 0 71 346.362 5
Mid Mid (pH 6-8) 3.74 9.26 -33.8 1 7 1 72 347.37 5

Activity (Go SEA)

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