UCSF

ZINC50066902

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 20 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) 2.29 7.78 -47.36 1 5 1 49 300.762 6
Mid Mid (pH 6-8) 2.29 5.56 -10.35 0 5 0 48 299.754 6

Activity (Go SEA)

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