UCSF

ZINC44618965

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 16 Yes

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) -0.09 7.98 -45.46 0 5 -1 69 222.268 5
Mid Mid (pH 6-8) -0.09 8.36 -49.11 1 5 0 70 223.276 5

Activity (Go SEA)

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