UCSF

ZINC35765493

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 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) 1.98 4.42 -44.84 3 3 1 44 237.367 5
Mid Mid (pH 6-8) 1.98 6.24 -26.55 3 3 1 44 237.367 5

Activity (Go SEA)

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