UCSF

ZINC28476271

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 27 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) 3.76 8.83 -48.44 2 5 1 50 364.469 5
Mid Mid (pH 6-8) 3.76 6.51 -10.18 1 5 0 49 363.461 5

Activity (Go SEA)

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