UCSF

ZINC42908060

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 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) 2.98 7.77 -41.77 3 2 1 31 269.412 5
Mid Mid (pH 6-8) 2.98 9.2 -117.19 4 2 2 32 270.42 5

Activity (Go SEA)

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