UCSF

ZINC20294546

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 36 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) 5.71 12.8 -19.45 2 6 0 76 478.596 6
Mid Mid (pH 6-8) 6.16 12.64 -131.64 0 6 -2 82 476.58 6

Activity (Go SEA)

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