UCSF

ZINC16741312

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 33 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) 3.38 9.15 -17.08 1 8 0 102 451.475 10
Mid Mid (pH 6-8) 2.79 9.92 -23.91 0 8 0 99 451.475 10

Activity (Go SEA)

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