UCSF

ZINC20200576

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 3.04 8.87 -104.79 3 2 2 21 226.408 5
Mid Mid (pH 6-8) 3.04 6.86 -33.69 2 2 1 20 225.4 5

Activity (Go SEA)

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