UCSF

ZINC20521461

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 1.46 2.78 -46.72 3 4 1 49 249.334 2
Mid Mid (pH 6-8) 1.46 4.78 -116.33 4 4 2 51 250.342 2

Activity (Go SEA)

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