UCSF

ZINC59811979

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 18 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) 2.77 2.55 -50.49 4 3 1 57 291.198 3
Mid Mid (pH 6-8) 2.77 3.32 -58.26 3 3 0 60 290.19 3

Activity (Go SEA)

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