UCSF

ZINC22579460

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 11 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) 1.14 1.87 -34.41 3 2 1 29 155.265 0
Mid Mid (pH 6-8) 1.14 1.86 -34.3 3 2 1 29 155.265 0

Activity (Go SEA)

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