UCSF

ZINC05545318

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 37 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) 5.36 11.01 -15.13 3 7 0 89 495.579 8
Mid Mid (pH 6-8) 5.32 -1.79 -12.99 2 7 0 89 495.579 8

Activity (Go SEA)

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