UCSF

ZINC16597924

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 23 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) 2.81 6.57 -42.01 1 5 -1 70 324.385 2
Mid Mid (pH 6-8) 2.35 7.83 -13.91 2 5 0 67 325.393 2

Activity (Go SEA)

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