UCSF

ZINC20924416

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 24 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) 3.83 9.4 -46.91 2 4 1 44 330.448 10
Mid Mid (pH 6-8) 3.83 7.98 -7.56 1 4 0 40 329.44 10

Activity (Go SEA)

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