UCSF

ZINC22176538

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 19 Yes

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) 2.31 6.09 -104.7 4 3 2 35 328.298 5
Mid Mid (pH 6-8) 2.31 3.72 -48.39 3 3 1 34 327.29 5

Activity (Go SEA)

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