UCSF

ZINC05041292

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2006 28 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) 3.19 11.29 -56.71 2 5 1 46 398.552 8
Mid Mid (pH 6-8) 3.19 9.06 -17.08 1 5 0 45 397.544 8

Activity (Go SEA)

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