UCSF

ZINC60781068

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2011 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) 0.38 2.86 -9.24 0 3 0 24 210.302 1
Mid Mid (pH 6-8) 0.38 5.25 -44.15 1 3 1 25 211.31 1

Activity (Go SEA)

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