UCSF

ZINC20054950

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 11 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) -0.89 -0.8 -43.3 4 4 1 69 161.225 7
Mid Mid (pH 6-8) -0.89 -2.2 -10.78 3 4 0 64 160.217 7

Activity (Go SEA)

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