UCSF

ZINC15454123

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 17 No

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) -3.29 3.89 -31.31 1 4 1 32 240.371 4
Mid Mid (pH 6-8) -3.29 6.42 -102.49 2 4 2 34 241.379 4

Activity (Go SEA)

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