UCSF

ZINC24717847

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2009 23 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) 2.09 2.81 -16.4 2 6 0 89 314.293 3
Mid Mid (pH 6-8) 2.09 3.62 -45.33 1 6 -1 92 313.285 3

Activity (Go SEA)

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