UCSF

ZINC24375164

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2009 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) 2.55 10.19 -109.86 2 5 2 40 380.583 7
Mid Mid (pH 6-8) 2.55 7.92 -45.02 1 5 1 39 379.575 7

Activity (Go SEA)

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