UCSF

ZINC20179747

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 21 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) 1.39 4.35 -125.6 4 5 2 54 293.411 5
Mid Mid (pH 6-8) 1.39 1.98 -51.73 3 5 1 53 292.403 5

Activity (Go SEA)

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