UCSF

ZINC40160845

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2010 23 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) 3.49 5.63 -5.55 1 4 0 42 324.509 5
Mid Mid (pH 6-8) 3.49 7.57 -40.19 2 4 1 43 325.517 5

Activity (Go SEA)

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