UCSF

ZINC22073480

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 14 Yes

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) 2.49 7.89 -111.17 3 2 2 21 200.37 6
Mid Mid (pH 6-8) 2.49 6.05 -34.78 2 2 1 20 199.362 6

Activity (Go SEA)

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