UCSF

ZINC22853880

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 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) 5.14 11.06 -38.23 1 5 0 58 404.967 4
Mid Mid (pH 6-8) 5.14 10.69 -43.26 2 5 1 55 405.975 4

Activity (Go SEA)

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