UCSF

ZINC33686758

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) 0.70 10.77 -36.79 4 7 1 101 439.952 5
Mid Mid (pH 6-8) 2.96 10.75 -13.75 3 7 0 99 438.944 5

Activity (Go SEA)

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