UCSF

ZINC21987422

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 20 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) 2.90 10.77 -41.97 1 2 1 22 266.364 3
Mid Mid (pH 6-8) 2.90 8.79 -4.91 0 2 0 20 265.356 3

Activity (Go SEA)

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