UCSF

ZINC21809116

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 15 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) 2.08 7.1 -85.07 3 3 2 31 209.337 5
Mid Mid (pH 6-8) 2.08 6.65 -38.52 2 3 1 29 208.329 5

Activity (Go SEA)

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