UCSF

ZINC15722788

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 26 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) 2.27 3.09 -47.1 1 7 -1 104 371.756 3
Mid Mid (pH 6-8) 2.27 3.88 -99.59 0 7 -2 107 370.748 3

Activity (Go SEA)

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