UCSF

ZINC38573586

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 32 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) 5.09 13.39 -25.68 1 6 1 70 435.544 0
Mid Mid (pH 6-8) 5.09 13 -12.73 0 6 0 69 434.536 0

Activity (Go SEA)

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