UCSF

ZINC45047284

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2010 15 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) 3.73 5.22 -119.99 5 2 2 44 214.397 5
Mid Mid (pH 6-8) 3.73 4.87 -30.4 4 2 1 43 213.389 5

Activity (Go SEA)

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