UCSF

ZINC22219604

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 16 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) 0.90 3.88 -101.42 4 3 2 35 241.404 3
Mid Mid (pH 6-8) 0.90 1.42 -46.59 3 3 1 34 240.396 3

Activity (Go SEA)

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