UCSF

ZINC16731114

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 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) 4.25 9.8 -11.93 1 5 0 71 425.843 5
Mid Mid (pH 6-8) 3.67 10.45 -19.57 0 5 0 68 425.843 5

Activity (Go SEA)

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