UCSF

ZINC05199775

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 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) 2.62 5.65 -10.54 2 5 0 101 351.36 1
Mid Mid (pH 6-8) 2.70 3.73 -121.54 3 5 2 101 353.376 1
Lo Low (pH 4.5-6) 2.62 5.46 -51.99 3 5 1 102 352.368 1

Activity (Go SEA)

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