UCSF

ZINC35346506

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 16 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) 2.93 5.99 -6.46 1 3 0 38 241.356 6
Mid Mid (pH 6-8) 2.93 6.96 -34.52 2 3 1 43 242.364 6

Activity (Go SEA)

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