UCSF

ZINC04699252

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2005 18 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) 2.98 9.6 -33.09 1 3 1 31 248.346 6
Mid Mid (pH 6-8) 2.98 7.02 -6.31 0 3 0 30 247.338 6

Activity (Go SEA)

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