UCSF

ZINC20227046

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 28 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) 3.91 5.18 -19.83 2 7 0 90 400.456 7
Mid Mid (pH 6-8) 3.91 4.73 -48.91 1 7 -1 92 399.448 7

Activity (Go SEA)

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