UCSF

ZINC20418459

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 32 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) 5.04 12.73 -13.83 1 4 0 28 486.003 10
Mid Mid (pH 6-8) 5.04 15.07 -51.33 2 4 1 29 487.011 10

Activity (Go SEA)

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