UCSF

ZINC16742386

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 38 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) 4.02 8.63 -18.81 2 8 0 106 517.578 11
Mid Mid (pH 6-8) 3.44 9.29 -26.65 1 8 0 102 517.578 11

Activity (Go SEA)

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