UCSF

ZINC34830307

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 37 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) 3.88 14.46 -45.73 1 8 1 91 519.647 5
Mid Mid (pH 6-8) 3.88 12.89 -15.96 0 8 0 90 518.639 5

Activity (Go SEA)

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