UCSF

ZINC00071130

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 3.82 10.36 -25.77 1 2 1 19 223.299 1
Mid Mid (pH 6-8) 3.82 9.92 -10.96 0 2 0 17 222.291 1

Activity (Go SEA)

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