UCSF

ZINC49799717

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2010 19 No

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) 3.09 7.47 -13.75 2 3 0 53 269.373 1
Mid Mid (pH 6-8) 3.82 7.32 -7.99 3 3 0 55 269.373 1

Activity (Go SEA)

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