UCSF

ZINC50193234

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2010 20 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) 2.73 4.09 -5.49 1 4 0 36 278.396 6
Mid Mid (pH 6-8) 2.73 6.35 -36.44 2 4 1 37 279.404 6

Activity (Go SEA)

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