UCSF

ZINC22622161

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 28 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) 0.66 6.08 -24.61 1 8 0 99 379.42 5
Mid Mid (pH 6-8) 0.66 6.38 -54.47 2 8 1 100 380.428 5

Activity (Go SEA)

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