UCSF

ZINC39350482

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2010 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) 4.07 9.22 -39.64 3 2 1 29 283.439 8
Mid Mid (pH 6-8) 4.07 10.34 -114.92 4 2 2 33 284.447 8

Activity (Go SEA)

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