UCSF

ZINC39557585

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 29 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) 5.47 11.81 -12.9 1 5 0 59 378.435 4
Mid Mid (pH 6-8) 5.47 12.19 -26.79 2 5 1 61 379.443 4

Activity (Go SEA)

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