UCSF

ZINC22876924

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 29 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) 5.26 15.1 -40.28 1 4 1 35 441.93 7
Mid Mid (pH 6-8) 5.26 12.66 -7.99 0 4 0 34 440.922 7

Activity (Go SEA)

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