UCSF

ZINC16737267

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 31 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) 4.39 9.53 -12.75 1 6 0 76 421.493 10
Mid Mid (pH 6-8) 3.81 10.18 -19.79 0 6 0 73 421.493 10

Activity (Go SEA)

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