UCSF

ZINC21789088

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 31 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) 3.68 9.03 -14.02 0 7 0 69 434.418 7
Mid Mid (pH 6-8) 3.68 11.39 -45.73 1 7 1 70 435.426 7

Activity (Go SEA)

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