UCSF

ZINC04223420

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 22 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) 2.75 8.57 -42.59 2 5 1 60 325.454 5
Mid Mid (pH 6-8) 2.75 6.15 -8.49 1 5 0 59 324.446 5

Activity (Go SEA)

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