UCSF

ZINC35908020

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2009 37 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) 3.54 9.7 -13.18 1 7 0 72 513.564 6
Mid Mid (pH 6-8) 3.54 11.97 -54.68 2 7 1 73 514.572 6

Activity (Go SEA)

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