UCSF

ZINC20055717

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 12 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) -0.02 2.75 -40.14 2 4 1 52 174.22 5
Mid Mid (pH 6-8) -0.02 1.3 -7.92 1 4 0 48 173.212 5

Activity (Go SEA)

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