UCSF

ZINC21531392

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 28 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) 2.91 5.29 -61.78 2 7 1 80 404.512 6
Mid Mid (pH 6-8) 2.91 6.19 -19.4 1 7 0 79 403.504 6

Activity (Go SEA)

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