UCSF

ZINC40989542

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 11 No

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) 1.08 6.89 -50.96 1 2 1 28 220.134 6
Mid Mid (pH 6-8) 1.08 4.55 -6.41 0 2 0 27 219.126 6

Activity (Go SEA)

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