UCSF

ZINC52798543

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2010 26 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) 2.88 6.14 -8.27 1 5 0 45 374.868 4
Mid Mid (pH 6-8) 2.88 8.39 -41.49 2 5 1 46 375.876 4

Activity (Go SEA)

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