UCSF

ZINC20225879

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 17 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) 1.91 6.34 -117.41 4 3 2 41 238.375 6
Mid Mid (pH 6-8) 1.91 5.03 -40.14 3 3 1 40 237.367 6

Activity (Go SEA)

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