UCSF

ZINC05924349

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 26 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) 4.30 8.66 -39.96 0 7 -1 107 388.45 6
Mid Mid (pH 6-8) 5.23 8.9 -12.27 1 7 0 108 389.458 5

Activity (Go SEA)

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