UCSF

ZINC22162156

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 14 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) -0.50 3.79 -51.89 0 4 -1 56 211.266 2
Mid Mid (pH 6-8) -0.50 4.19 -44.7 1 4 0 58 212.274 2

Activity (Go SEA)

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