UCSF

ZINC08845797

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 25 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) 3.77 6.85 -10.53 2 5 0 69 353.809 3
Mid Mid (pH 6-8) 3.77 7.62 -49.9 1 5 -1 72 352.801 3

Activity (Go SEA)

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