UCSF

ZINC12418004

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 23 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) 2.03 2.77 -12.23 1 6 0 60 322.405 6
Mid Mid (pH 6-8) 2.03 5.03 -47.02 2 6 1 61 323.413 6

Activity (Go SEA)

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