UCSF

ZINC16639405

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 24 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) 5.66 9.96 -48.41 0 3 -1 52 336.436 5
Mid Mid (pH 6-8) 5.66 9.09 -8.98 1 3 0 50 337.444 5

Activity (Go SEA)

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