UCSF

ZINC40568086

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 26 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) 4.92 10.22 -7.22 0 3 0 22 347.458 4
Mid Mid (pH 6-8) 4.92 11.96 -40.32 1 3 1 23 348.466 4

Activity (Go SEA)

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