UCSF

ZINC33682703

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 30 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) 0.47 10.93 -33.93 4 7 1 101 419.534 5
Mid Mid (pH 6-8) 2.74 10.89 -14.09 3 7 0 99 418.526 5

Activity (Go SEA)

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