UCSF

ZINC22056370

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 24 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) 2.10 5.31 -36.83 3 6 1 82 344.416 7
Mid Mid (pH 6-8) 2.10 4.84 -11.45 2 6 0 80 343.408 7

Activity (Go SEA)

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