UCSF

ZINC21785146

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 4.12 9.46 -11.6 0 5 0 40 379.504 8
Mid Mid (pH 6-8) 4.12 9.85 -32.65 1 5 1 41 380.512 8

Activity (Go SEA)

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