UCSF

ZINC28234681

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 19 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) 2.25 8.51 -7.81 2 3 0 44 249.317 3
Mid Mid (pH 6-8) 2.25 8.99 -31.36 3 3 1 45 250.325 3

Activity (Go SEA)

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