UCSF

ZINC55392736

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 15 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) -2.58 -0.22 -43.5 3 8 -1 131 213.173 4
Mid Mid (pH 6-8) -2.12 -1.85 -100.81 2 8 -2 134 212.165 4

Activity (Go SEA)

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