UCSF

ZINC12526666

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 18 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) 2.82 8.15 -13.6 1 3 0 42 240.306 3
Lo Low (pH 4.5-6) 2.82 7.9 -29.85 2 3 1 43 241.314 3

Activity (Go SEA)

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