UCSF

ZINC16700361

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 30 No

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) 2.85 6.19 -16.05 1 7 0 85 411.454 8
Mid Mid (pH 6-8) 2.27 6.89 -22.57 0 7 0 82 411.454 8

Activity (Go SEA)

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