UCSF

ZINC16954447

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 15 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) 0.68 -0.51 -8.53 3 5 0 86 204.185 1
Mid Mid (pH 6-8) 1.14 -3.32 -45.54 2 5 -1 89 203.177 1

Activity (Go SEA)

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