UCSF

ZINC24193172

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2009 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) -3.60 6.27 -31.02 2 8 1 88 353.406 1
Mid Mid (pH 6-8) -3.60 8.66 -84.32 3 8 2 89 354.414 1

Activity (Go SEA)

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