UCSF

ZINC16441046

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 25 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) 4.22 7.6 -38 1 7 -1 110 354.367 4
Mid Mid (pH 6-8) 4.22 8.6 -93.21 0 7 -2 113 353.359 4

Activity (Go SEA)

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