UCSF

ZINC41203625

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 18 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) 4.05 6.33 -39.29 3 2 1 41 281.47 5
Mid Mid (pH 6-8) 4.05 6.28 -6.39 2 2 0 39 280.462 5

Activity (Go SEA)

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