UCSF

ZINC35776653

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 14 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) -0.01 1.81 -40.7 2 4 1 46 217.314 1
Mid Mid (pH 6-8) -0.01 0.73 -9.05 1 4 0 42 216.306 1

Activity (Go SEA)

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