UCSF

ZINC22143175

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 15 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) 0.22 -3.44 -45.04 6 5 1 100 211.241 4
Mid Mid (pH 6-8) 0.22 -4.57 -17.53 5 5 0 96 210.233 4

Activity (Go SEA)

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