UCSF

ZINC20194722

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 17 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) 0.66 4.92 -45.48 3 4 1 51 234.323 1
Mid Mid (pH 6-8) 0.66 2.51 -9.7 2 4 0 50 233.315 1

Activity (Go SEA)

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