UCSF

ZINC35447959

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) 3.74 9.46 -47.15 2 6 1 74 404.899 4
Mid Mid (pH 6-8) 3.74 8.93 -16.09 1 6 0 73 403.891 4

Activity (Go SEA)

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