UCSF

ZINC19685116

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 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) 1.08 4.82 -108.4 5 3 2 52 250.386 5
Mid Mid (pH 6-8) 1.08 4.44 -33.1 4 3 1 51 249.378 5

Activity (Go SEA)

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